PUBLICATIONS
Publication Portfolio
2024
Khan, T., Waseem, R., Shahid, M., Ansari, J., Hassan, M. I., Shamsi, A., & Islam, A. (2024). Understanding the Modulation of α-Synuclein Fibrillation by N-Acetyl Aspartate: A Brain Metabolite. ACS omega, 9(10), 12262–12271. https://doi.org/10.1021/acsomega.4c00595
Iram, F., Shahid, M., Ansari, J., Ashraf, G. M., Hassan, M. I., & Islam, A. (2024). Navigating the Maze of Alzheimer’s Disease by Exploring BACE1: Discovery, Current Scenario, and Future Prospects. Ageing research reviews, 102342. Advance online publication. https://doi.org/10.1016/j.arr.2024.102342
Khan, T., Waseem, R., Shahid, M., Ansari, J., Ahanger, I. A., Hassan, I., & Islam, A. (2023). Recent advancement in therapeutic strategies for Alzheimer’s disease: Insights from clinical trials. Ageing research reviews, 92, 102113. https://doi.org/10.1016/j.arr.2023.102113
Bashir, S., Aiman, A., Chaudhary, A. A., Khan, N., Ahanger, I. A., Sami, N., Almugri, E. A., Ali, M. A. M., Khan, S. U., Shahid, M., Basir, S. F., Hassan, M. I., & Islam, A. (2024). Probing protein aggregation through spectroscopic insights and multimodal approaches: A comprehensive review for counteracting neurodegenerative disorders. Heliyon, 10(7), e27949. https://doi.org/10.1016/j.heliyon.2024.e27949
Taiyab, A., Choudhury, A., Haidar, S., Yousuf, M., Rathi, A., Koul, P., Chakrabarty, A., Islam, A., Shamsi, A., & Hassan, M. I. (2024). Exploring MTH1 inhibitory potential of Thymoquinone and Baicalin for therapeutic targeting of breast cancer. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, 173, 116332. https://doi.org/10.1016/j.biopha.2024.116332
Choudhir, G., Shahid, M., & Islam, A. (2024). Elucidating the pH-Dependent Conformational Transitions of Eryngin: Insights from Molecular Dynamics Simulations. Informatics in Medicine Unlocked, 101508.
Taiyab, A., Haider, S., Choudhury, A., Rathi, A., Hussain, A., Alajmi, M. F., … & Hassan, M. I. (2024). Repurposing Resveratrol: A Novel Approach to Inhibit MTH1 for Effective Breast Cancer Therapy. https://doi.org/10.21203/rs.3.rs-4365362/v1
Taiyab, A., Haider, S., Choudhury, A., Rathi, A., Hussain, A., Alajmi, M. F., … & Hassan, M. I. (2024). Repurposing Resveratrol: A Novel Approach to Inhibit MTH1 for Effective Breast Cancer Therapy. https://doi.org/10.21203/rs.3.rs-4365362/v1
Bashir, S., Aiman, A., Shahid, M., Chaudhary, A. A., Sami, N., Basir, S. F., Hassan, I., & Islam, A., Professor (2024). Amyloid-induced neurodegeneration: A comprehensive review through aggregomics perception of proteins in health and pathology. Ageing research reviews, 96, 102276. https://doi.org/10.1016/j.arr.2024.102276
2026 (27 publications)
- Structural bioinformatics in personalized medicine
- Big data enabled discovery in bioinformatics and structural biology
- Unraveling protein folding and structural dynamics
- Safe Redosable Low-Immunogenic In Vivo CAR-T Therapy for B Cell Malignancies and Solid Tumors
- Mechanistic insights into the inhibition of α-synuclein aggregation by sugar-based nanoparticles
- Elucidating the Antiglycation Potential of Plumbagin Against Methylglyoxal‐Induced Glycation of Bovine Liver Catalase
- Integrated biophysical, thermodynamic and cellular evaluation of prunetin as an α-glucosidase inhibitor: Insights from ITC, fluorescence quenching and molecular dynamics
- Live-Cell Visualization of DNA Double-Strand Break Repair Dynamics via Recombinase-Coated Gold Nanoconjugates
- Polyethylene Glycol Mediated Inhibition of α‐Lactalbumin Aggregation: Molecular Insights From a Carbohydrate‐Mimicking Stealth Polymer
- Deciphering the Role of Sugar Osmolytes in Free and Nano forms to Mitigate Protein Aggregation: Insights from Biophysical and Microscopic Studies
- Multi-scale in silico dissection of phosphomimetic inducible nitric oxide synthase (iNOS) variants uncovers three distinct mechanisms of calmodulin interface remodeling
- Biophysical insights into protein–co-solute interactions of alpha lactalbumin: mitigating urea effects in physiological crowded environments
- Insight into the Interaction and Inhibition of NS3 ATPase of Dengue Virus with 3′-Azido-3′-deoxythymidine: Computational and Biophysical Approaches
- Arginine substitution of conserved Lys609 and Lys733 impairs FMN dynamics, electron transfer, and nitric oxide production in endothelial nitric oxide synthase
- Stability and Conformational Dynamics of Interferons: Structural Insights into the Urea- and Guanidinium Chloride-Induced Unfolding
- Structure-guided screening of bioactive phytoconstituents as prospective inhibitors of SARS-CoV-2 Mpro
- Exploring the intersection of Alzheimer's disease and comorbidities: a review of the interplay between multiple chronic conditions
- IFN-β blocks the thymidine salvage pathway in Staphylococcus aureus through high-affinity binding to thymidine kinase
- Insights into mechanism of ionic liquids for protein stability: Future implications for neurodegeneration treatment
- LMDB: A secondary metabolites database exploring chemical diversity and therapeutic potentials of lichens
- SMDB: Investigating secondary metabolites in common spices through bioactive metabolite profiling
- Paradoxical Role of Taurine in Interferon-β Aggregation: A Multimodal Analysis
- In Silico Evaluation of Gingerols as Quorum Sensing (QS) Inhibitors Targeting the Las Quorum Sensing Regulator (LasR) Protein
- Integrated Microfluidic-SERS for Exosomal Profiling: Bridging the Gap Between Literature Promises and Clinical Reality in Osteosarcoma Diagnosis
- Protein aggregation in Huntington's disease
- TMDB: An integrated repository of Trichoderma secondary metabolites and their in silico screening against Pseudomonas aeruginosa LasR
- Targeting DYRK1A with rationally designed pyrazine–guanidine hybrids for Alzheimer's disease: design, synthesis, and biological evaluation
2025 (34 publications)
- A biophysical and computational investigation of aggregation suppression effect of choline dodecyl prolate ionic liquid on alpha lactalbumin protein
- Biopolymer-Based Metal Nanoparticles for Biosensing Applications
- Urea induced characterization & structural dynamics of the Nucleocapsid Protein using biophysical and in silico approaches
- Deciphering the heparin-binding domain of RSV G protein in host-pathogen interactions
- Exploring the role of urea in preventing aggregation in alpha Lactalbumin protein using biophysical approaches
- Sotrovimab versus usual care in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial
- Exploring the binding energies of new pyrazoline derivatives to DNA/BSA: antifungal, antioxidant, MD simulations and TD-DFT studies
- Parkin, a key player in Parkinson's disease pathogenesis: A review
- CMDB: a comprehensive public database of secondary metabolites from cereals
- The neuroprotective role of chlorogenic acid and Fisetin in differentiated neuronal cell line-SHSY5Y against amyloid-β-induced neurotoxicity
- Biophysical and computational insights into glycol-mediated modulation of amyloid dye affinity
- Targeting tau hyperphosphorylation-mediated neuroinflammation in Alzheimer's disease via ABL1 kinase inhibition: Insights from microsecond MD simulation and MM/PBSA analyses
- Caloric restriction mimetics chlorogenic acid and fisetin as potential autophagy inducers targeting ATG101
- Inhibitory potential of gallic acid against SARS-CoV-2 main protease: A structure-function insight using combined spectroscopic and computational approach
- Biophysical insights into pH-induced structural dynamics of recombinant interferon β-1b: Aggregation under acidic conditions
- Structure-guided discovery of tau-phosphorylating kinase DYRK1A inhibitors for therapeutic targeting of neuroinflammatory diseases: Insights from microsecond MD simulation and MMPBSA analyses
- AI-driven approaches in therapeutic interventions: Transforming RNA-seq analysis into biomarker discovery and drug development
- Molnupiravir or nirmatrelvir–ritonavir plus usual care versus usual care alone in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial
- Identification of high-affinity inhibitors for epoxide hydrolase 2 from repurposed drugs in Parkinson’s disease therapeutics
- Abstract 1469 Biochemical screening of phytochemicals and identification of a potential inhibitor of SARS-CoV-2 Mpro and investigating its thermodynamic impact on the structural stability
- Targeting rice blast disease: evaluating binding affinity of trichoderma metabolite to Pyricularia oryzae GSK-1 through molecular modeling approaches
- Delineating the Mechanistic Insight of Inhibition of α-Synuclein Fibrillation by Neuro Metabolite, Myo-inositol: Implications in Synucleopathies-Related Disorders
- Structure-guided screening identified bioactive phytoconstituents Hernandonine and Anolobine as potential inhibitors of dual specificity protein kinase CLK1
- Computational evaluation of Jeevamrutha metabolites binding affinity to MurE enzyme of Xanthomonas oryzae pv. oryzae for bacterial disease management
- Inhibition potential of margolonone and isomargolonone against the dengue virus protease using molecular modeling approaches
- Antibacterial potential of Trichoderma bioactive metabolites in managing Staphylococcus aureus infection: Integrated molecular modeling approaches
- Biochemical Screening of Phytochemicals and Identification of Scopoletin as a Potential Inhibitor of SARS-CoV-2 Mpro, Revealing Its Biophysical Impact on Structural Stability
- Higher dose corticosteroids in hospitalised COVID-19 patients requiring ventilatory support (RECOVERY): a randomised, controlled, open-label, platform trial
- Sustainable lipid production by oleaginous yeasts: Current outlook and challenges
- Understanding of Alzheimer's disease pathophysiology for therapeutic implications of natural products as neuroprotective agents
- Identification of key candidates associated with chronic hepatitis E virus infection
- Unraveling the catalase dynamics: Biophysical and computational insights into co-solutes driven stabilization under extreme pH conditions
- Structural Affinity Relationship of Gingerols with Las quorum-sensing regulator (LasR) Inhibition of Quorum Sensing
- In Silico Evaluation of Gingerols as Quorum-Sensing Inhibitors,
2024 (27 publications)
- Telomeric RNA quadruplexes as targets for cancer prevention: The therapeutic potential of agonodepsides
- pH induced structural and conformational changes in nucleocapsid protein leads to intermediate like conformation: a biophysical and computational approach
- Understanding the role of potential biomarkers in attenuating multiple sclerosis progression via multiomics and network-based approach
- Delineating the effect of trehalose nanoparticles on aggregation pattern of apo-α-lactalbumin protein: A nano-approach towards counteracting proteinopathies
- Caloric restriction: A potential approach for mitigating neuronal damage: Lesson from cellular model of Alzheimer disease
- Targeting tau in Alzheimer’s and beyond: Insights into pathology and therapeutic strategies
- Employing spectroscopic, calorimetric and structural bioinformatics approaches to decipher the binding mechanism of mangiferin with human transferrin
- Iron homeostasis and neurodegeneration in the ageing brain: Insight into ferroptosis pathways
- Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study
- Food additives Food coloring agents Food ingredients Chromatography, Thin Layer Iran
- Recent advancement in understanding of Alzheimer's disease: Risk factors, subtypes, and drug targets and potential therapeutics
- Targeting prostate cancer via therapeutic targeting of PIM-1 kinase by Naringenin and Quercetin
- Navigating the Maze of Alzheimer’s disease by exploring BACE1: Discovery, current scenario, and future prospects
- Improving faster R-CNN generalization for intestinal parasite detection using cycle-GAN based data augmentation
- Repurposing Resveratrol: A Novel Approach to Inhibit MTH1 for Effective Breast Cancer Therapy
- Probing protein aggregation through spectroscopic insights and multimodal approaches: A comprehensive review for counteracting neurodegenerative disorders
- Amyloid-induced neurodegeneration: A comprehensive review through aggregomics perception of proteins in health and pathology
- Exploring therapeutic potential of Rutin by investigating its cyclin-dependent kinase 6 inhibitory activity and binding affinity
- Exploring MTH1 inhibitory potential of Thymoquinone and Baicalin for therapeutic targeting of breast cancer
- Understanding the Modulation of α-Synuclein Fibrillation by N-Acetyl Aspartate: A Brain Metabolite
- Harnessing memantine in Alzheimer's disease therapy through inhibition of microtubule affinity-regulating kinase: Mechanistic insights
- Exploring the potential of baicalin and resveratrol as PIM-1 kinase inhibitors: Therapeutic targeting of prostate and breast cancers
- Nitric oxide as a double-edged sword in pulmonary viral infections: Mechanistic insights and potential therapeutic implications
- Elucidating the pH-dependent conformational transitions of eryngin: Insights from molecular dynamics simulations
- Natural Compound Toxicity: An Egregiously Overlooked Topic
- Osmolytes as a Promising Therapeutic Strategy for Protein Aggregation Diseases
- Potential of Osmolytes as Diagnostic Biomarkers in Various Diseases
2023 (37 publications)
- The Molecular Blueprint for Chronic Obstructive Pulmonary Disease (COPD): A New Paradigm for Diagnosis and Therapeutics
- Antibiotic adjuvants: synergistic tool to combat multi-drug resistant pathogens
- Probing Baicalin as potential inhibitor of Aurora kinase B: A step towards lung cancer therapy
- Integrated spectroscopic and MD simulation approach to decipher the effect of pH on the structure function of Staphylococcus aureus thymidine kinase
- Idiopathic pulmonary fibrosis: Pathophysiology, cellular signaling, diagnostic and therapeutic approaches
- Polyherbal nano formulation: A potent antibiotic resistance breaker in bovine mastitis causing MDR pathogens
- Recent advancement in therapeutic strategies for Alzheimer’s disease: Insights from clinical trials
- Empagliflozin in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial
- Mitigation of the Deleterious Effect of Heavy Metals on the Conformational Stability of Ubiquitin through Osmoprotectants
- Sugar osmolyte inhibits and attenuates the fibrillogenesis in RNase A: An in vitro and in silico characterizations
- Comprehensive Insights into Biological Roles of Rosmarinic Acid: Implications in Diabetes, Cancer and Neurodegenerative Diseases
- Therapeutic targeting of microtubule affinity‐regulating kinase 4 in cancer and neurodegenerative diseases
- Laccase Engineering: Redox Potential Is Not the Only Activity-Determining Feature in the Metalloproteins
- Interaction studies of recombinant laccase with co-solutes: Using various spectroscopic, calorimetric, and in silico approaches
- Role of sugar osmolytes and their nano-counterparts as inhibitors in protein fibrillation
- Inhibitory potential of N-acetylaspartate against protein glycation, AGEs formation and aggregation: Implication of brain osmolyte in glycation-related complications
- Investigating MARK4 inhibitory potential of Bacopaside II: Targeting Alzheimer's disease
- Identification of Stage-Specific Differentially Expressed Genes and Network Meta-Analysis Reveals Potential Molecular Signatures in Chronic Hepatitis E Virus Infection
- Inhibitors and Microbial Tolerance during Fermentation of Biofuel Production
- RETRACTED: Biochemical features and therapeutic potential of α-Mangostin: Mechanism of action, medicinal values, and health benefits
- Polyethylene glycol induced structural modulation of holo alpha-lactalbumin: In vitro and in vivo approach towards protein stability
- Nature's toolbox against tau aggregation: An updated review of current research
- Potential antiviral activities of chrysin against hepatitis B virus
- Therapeutic targeting of Huntington's disease: Molecular and clinical approaches
- Comprehensive Perspective Towards the Management of Proteinopathies by Elucidating Protein Misfolding and Aggregation
- Investigating regulated signaling pathways in therapeutic targeting of non-small cell lung carcinoma
- Signature Garlic Phytochemical as a Potential Anti-Candidal Candidate Targeting Virulence Factors in Candida albicans
- Osmolytes: Wonder molecules to combat protein misfolding against stress conditions
- Designing of new tetrahydro-β-carboline-based ABCG2 inhibitors using 3D-QSAR, molecular docking, and DFT tools
- Aggregation of irisin and its prevention by trehalose: A biophysical approach
- Network pharmacology and bioinformatics approach reveals the therapeutic mechanism of action of curcumin in Alzheimer disease
- Interaction of Thioflavin T (ThT) and 8-anilino-1-naphthalene sulfonic acid (ANS) with macromolecular crowding agents and their monomers: Biophysical analysis using in vitro and computational approaches
- Investigation of the interactions of HSA and SARS-CoV-2 papain-like protease against eugenol for novel COVID-19 drug discovery: spectroscopic and insilico study
- A review on cyclin-dependent kinase 5: An emerging drug target for neurodegenerative diseases
- Molecular basis of structural stability of Irisin: A combined molecular dynamics simulation and in vitro studies for Urea-induced denaturation
- Molecular Dynamics Simulation to Study Thermal Unfolding in Proteins
- Applications of Circular Dichroism Spectroscopy in Studying Protein Folding, Stability, and Interaction
2022 (32 publications)
- Spectroscopic investigations on fungal aspartic protease as target of gallic acid
- Elucidating the Role of Santalol as a Potent Inhibitor of Tyrosinase: In Vitro and In Silico Approaches
- Characterization of advanced glycation end products and aggregates of irisin: Multispectroscopic and microscopic approaches
- Counteraction of the cetyltrimethylammonium bromide-induced protein aggregation by heparin: Potential impact on protein aggregation and neurodegenerative diseases using biophysical approaches
- Mitochondrial Dysfunction: Pathophysiology and Mitochondria-Targeted Drug Delivery Approaches
- Identification of Thermostable Xylose Reductase fromThermothelomyces thermophilus: A Biochemical Characterization Approach to Meet Biofuel Challenges
- Measuring Structural Changes in Cytochrome c under Crowded Conditions Using In Vitro and In Silico Approaches
- Pharmacological features, health benefits and clinical implications of honokiol
- Soft interactions versus hard core repulsions: A journey of cytochrome c from acid-induced denaturation to native protein via pre-molten globule and molten globule conformations exploiting dextran and its monomer glucose
- Pharmacological attributes of Bacopa monnieri extract: Current updates and clinical manifestation
- Mechanistic Insight into the Enzymatic Inhibition of β-Amyrin against Mycobacterial Rv1636: In Silico and In Vitro Approaches
- Microtubule-affinity regulating kinase 4: A potential drug target for cancer therapy
- Investigating neuroprotective roles of Bacopa monnieri extracts: Mechanistic insights and therapeutic implications
- Interferons Horizon Therapeutics
- Design and evaluation of pyrimidine derivatives as potent inhibitors of ABCG2, a breast cancer resistance protein
- Inhibiting Cyclin-Dependent Kinase 6 by Taurine: Implications in Anticancer Therapeutics
- Understanding the nano colloid-protein interaction in crowded milieu
- Investigating binding mechanism of thymoquinone to human transferrin, targeting Alzheimer's disease therapy
- Interaction of fungal lipase with potential phytotherapeutics
- Unraveling the Binding Mechanism of Alzheimer’s Drugs with Irisin: Spectroscopic, Calorimetric, and Computational Approaches
- Size-Dependent Interplay of Volume Exclusion Versus Soft Interactions: Cytochrome c in Macromolecular Crowded Environment
- Insights into Fluctuations of Structure of Proteins: Significance of Intermediary States in Regulating Biological Functions
- Binding and thermodynamic study of thalidomide with calf thymus DNA: Spectroscopic and computational approaches
- Insights into the Antibacterial Activity of Prolactin-Inducible Protein against the Standard and Environmental MDR Bacterial Strains
- Novel Chimeric Vectors Harboring Hepatitis B Viral Promoter and Reporter Gene Demonstrated Liver-Specific Significance
- Effect of pH on the structure and function of cyclin-dependent kinase 6
- Mutation in the CX3C Motif of G Protein Disrupts Its Interaction with Heparan Sulfate: A Calorimetric, Spectroscopic, and Molecular Docking Study
- FNDC5/Irisin: Physiology and Pathophysiology
- Natural products can be used in therapeutic management of COVID-19: Probable mechanistic insights
- Application of circular dichroism spectroscopy in studying protein folding, stability, and interaction
- Targeting pyruvate kinase M2 signaling for development of effective cancer therapy
- CHAPTER 12. Significant SARS-CoV-2 Variants Circulating Around the World: Origin, Spread and Phylodynamics
2021 (41 publications)
- Spread and Dynamics of COVID-19 in the Kingdom of Saudi Arabia and Four Other Countries in the Early Phase: A Study for the Development of the Advanced Health System
- Effect of pH on the structure and stability of irisin, a multifunctional protein: Multispectroscopic and molecular dynamics simulation approach
- Structural Characterization of Ectodomain G Protein of Respiratory Syncytial Virus and Its Interaction with Heparan Sulfate: Multi-Spectroscopic and In Silico Studies Elucidating Host-Pathogen Interactions
- Delineating the Aggregation-Prone Hotspot Regions (Peptides) in the Human Cu/Zn Superoxide Dismutase 1
- Therapeutic Potential of Ursolic Acid in Cancer and Diabetic Neuropathy Diseases
- Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4
- PEG mediated destabilization of holo α-lactalbumin probed by in silico and in vitro studies: deviation from excluded volume effect
- Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach
- MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease
- Spectroscopic, calorimetric and in silico insight into the molecular interactions of Memantine with human transferrin: Implications of Alzheimer's drugs
- Characterization of different intermediate states in myoglobin induced by polyethylene glycol: A process of spontaneous molecular self-organization foresees the energy landscape theory via in vitro and in silico approaches
- Structural exploration of Y-domain reveals its essentiality in HEV pathogenesis
- Impact of single amino acid substitution on the structure and function of TANK‐binding kinase‐1
- Phytochemicals targeting NF-κB signaling: Potential anti-cancer interventions
- Probing the interaction of memantine, an important Alzheimer's drug, with human serum albumin: In silico and in vitro approach
- Parkinson’s Disease: A Current Perspectives on Parkinson’s Disease and Key Bioactive Natural Compounds as Future Potential Drug Candidates
- Structure‐based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases
- Aurora B kinase: a potential drug target for cancer therapy
- Targeting pyruvate dehydrogenase kinase signaling in the development of effective cancer therapy
- Structural genomics approach to investigate deleterious impact of nsSNPs in conserved telomere maintenance component 1
- Structural Refolding and Thermal Stability of Myoglobin in the Presence of Mixture of Crowders: Importance of Various Interactions for Protein Stabilization in Crowded Conditions
- Exploring the molecular interactions of Galantamine with human Transferrin: In-silico and in vitro insight
- Targeting the Sphingosine Kinase/Sphingosine-1-Phosphate Signaling Axis in Drug Discovery for Cancer Therapy
- Structural Characterization and Binding Studies of the Ectodomain G Protein of Respiratory Syncytial Virus Reveal the Crucial Role of pH with Possible Implications in Host–Pathogen Interactions
- Mechanistic insight into the binding of graphene oxide with human serum albumin: Multispectroscopic and molecular docking approach
- A computational study on active constituents of Habb-ul-aas and Tabasheer as inhibitors of SARS-CoV-2 main protease
- Stability of uniformly labeled (13C and 15N) cytochrome c and its L94G mutant
- Interaction of polyethylene glycol with cytochrome c investigated via in vitro and in silico approaches
- Crowding Milleu stabilizes apo-myoglobin against chemical-induced denaturation: Dominance of hardcore repulsions in the heme devoid protein
- Elucidating the Interaction of Human Ferritin with Quercetin and Naringenin: Implication of Natural Products in Neurodegenerative Diseases: Molecular Docking and Dynamics Simulation Insight
- Trehalose Restrains the Fibril Load towards α-Lactalbumin Aggregation and Halts Fibrillation in a Concentration-Dependent Manner
- Multispectroscopic and Molecular Docking Insight into Elucidating the Interaction of Irisin with Rivastigmine Tartrate: A Combinational Therapy Approach to Fight Alzheimer’s Disease
- Rationalizing the Role of Monosodium Glutamate in the Protein Aggregation Through Biophysical Approaches: Potential Impact on Neurodegeneration
- Glossary of phytoconstituents: Can these be repurposed against SARS CoV-2? A quick in silico screening of various phytoconstituents from plant Glycyrrhiza glabra with SARS CoV-2 main protease
- Investigation of sphingosine kinase 1 inhibitory potential of cinchonine and colcemid targeting anticancer therapy
- Potential drug targets of SARS-CoV-2: From genomics to therapeutics
- Heparin Accelerates the Protein Aggregation via the Downhill Polymerization Mechanism: Multi-Spectroscopic Studies to Delineate the Implications on Proteinopathies
- An Insight Into Mitochondrial Dysfunction and its Implications in Neurological Diseases
- Biological Implications of Polyethylene Glycol and PEGylation: Therapeutic Approaches Based on Biophysical Studies and Protein Structure-Based Drug Design Tools
- Therapeutic Potential of Polyphenols in Alzheimer’s Therapy: Broad-Spectrum and Minimal Side Effects as Key Aspects
- The Pathogenesis and Complications Associated with Autism Spectrum Disorder and Alzheimer’s Disease: A Comparative Study
2020 (39 publications)
- Recent Research Advances in Biology Vol. 3
- Insight into the binding of PEG-400 with eye protein alpha-crystallin: Multi spectroscopic and computational approach: possible therapeutics targeting eye diseases
- Heme-iron ligand (M80-Fe) in cytochrome c is destabilizing: combined in vitro and in silico approaches to monitor changes in structure, stability and dynamics of the protein on mutation
- Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders
- Inhibiting CDK6 Activity by Quercetin Is an Attractive Strategy for Cancer Therapy
- Biophysical Elucidation of Fibrillation Inhibition by Sugar Osmolytes in α-Lactalbumin: Multispectroscopic and Molecular Docking Approaches
- A Systems View of the Genome Guardians: Mapping the Signaling Circuitry Underlying Oligonucleotide/Oligosaccharide-Binding Fold Proteins
- Conformational changes in cytochrome c directed by ethylene glycol accompanying complex formation: Protein-solvent preferential interaction or/and kosmotropic effect
- Concentration dependent effect of ethylene glycol on the structure and stability of holo α-lactalbumin: Characterization of intermediate state amidst soft interactions
- Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy
- Biophysical Insights into Implications of PEG-400 on the α-Crystallin Structure: Multispectroscopic and Microscopic Approach
- Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents
- Unravelling the unfolding pathway of human Fas-activated serine/threonine kinase induced by urea
- Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition
- Structural and biochemical investigation of MARK4 inhibitory potential of cholic acid: Towards therapeutic implications in neurodegenerative diseases
- Effect of Antioxidants on Heavy Metals Induced Conformational Alteration of Cytochrome C and Myoglobin
- Corona virus versus existence of human on the earth: A computational and biophysical approach
- Effects of Ethylene Glycol on the Structure and Stability of Myoglobin Using Spectroscopic, Interaction, and In Silico Approaches: Monomer Is Different from Those of Its Polymers
- Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy
- MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy
- Effects of natural mutations (L94I and L94V) on the stability and mechanism of folding of horse cytochrome c: A combined in vitro and molecular dynamics simulations approach
- Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6
- Optimization of Parameters for Expression and Purification of G Glycoprotein Ectodomain of Respiratory Syncytial Virus
- Interactions Under Crowding Milieu: Chemical-Induced Denaturation of Myoglobin is Determined by the Extent of Heme Dissociation on Interaction with Crowders
- Structure, function and therapeutic implications of OB-fold proteins: A lesson from past to present
- Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies
- Structural Features of Nucleoprotein CST/Shelterin Complex Involved in the Telomere Maintenance and Its Association with Disease Mutations
- The anti-oxidant enzyme, Prdx6 might have cis-acting regulatory sequence(s)
- Effect of pH on the structure and function of pyruvate dehydrogenase kinase 3: Combined spectroscopic and MD simulation studies
- Probing the interaction of Rivastigmine Tartrate, an important Alzheimer's drug, with serum albumin: Attempting treatment of Alzheimer's disease
- Formation of molten globule state in horse heart cytochrome c under physiological conditions: Importance of soft interactions and spectroscopic approach in crowded milieu
- Investigation of guanidinium chloride-induced unfolding pathway of sphingosine kinase 1
- Identification of high-affinity inhibitors of pyruvate dehydrogenase kinase-3: towards therapeutic management of cancer
- Targeting metacaspase-3 fromPlasmodium falciparumtowards antimalarial therapy: A combined approach ofin-silicoandin-vitroinvestigation
- Discovery of 4-(2-(dimethylamino)ethoxy)benzohydrazide derivatives as prospective microtubule affinity regulating kinase 4 inhibitors
- Trehalose Stabilizes Lysozyme: A Biophysical and Docking Approach towards Understanding the Mechanism of Co-solute Engineering
- Management of Insulin Through Co-Solute Engineering: A Therapeutic Approach
- Effect of Glucose on Thermal Stability of Myoglobin: A Biophysical and In silico Approach towards Stabilisation of Protein
- Mimicking Physiological Cellular Environment of Protein Using Macromolecular Crowding Approach
2019 (18 publications)
- Amphiphilic nature of polyethylene glycols and their role in medical research
- Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanoma
- Ionic Liquid Green Assembly-Mediated Migration of Piperine from Calf-Thymus DNA: A New Possibility of the Tunable Drug Delivery System
- Molecular and macromolecular crowding-induced stabilization of proteins: Effect of dextran and its building block alone and their mixtures on stability and structure of lysozyme
- Urea Stress: Myo-inositol's efficacy to counteract destabilization of TIM-β-globin complex by urea is as good as that of the methylamine
- Backbone and side chain 1H, 15N and 13C chemical shift assignments of the molten globule state of L94G mutant of horse cytochrome-c
- Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1)
- Unraveling Binding Mechanism of Alzheimer’s Drug Rivastigmine Tartrate with Human Transferrin: Molecular Docking and Multi-Spectroscopic Approach towards Neurodegenerative Diseases
- Evaluation of pyrazolopyrimidine derivatives as microtubule affinity regulating kinase 4 inhibitors: Towards therapeutic management of Alzheimer’s disease
- Carbohydrate-Based Macromolecular Crowding-Induced Stabilization of Proteins: Towards Understanding the Significance of the Size of the Crowder
- Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy
- Structural Analysis and Conformational Dynamics of STN1 Gene Mutations Involved in Coat Plus Syndrome
- Exploration of Fungal Lipase as Direct Target of Eugenol through Spectroscopic Techniques
- Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma
- Investigating architecture and structure-function relationships in cold shock DNA-binding domain family using structural genomics-based approach
- Unfoldness of the denatured state of proteins determines urea: Methylamine counteraction in terms of Gibbs free energy of stabilization
- Spectroscopic, calorimetric and molecular docking insight into the interaction of Alzheimer’s drug donepezil with human transferrin: implications of Alzheimer’s drug
- Mixture of Macromolecular Crowding Agents Has a Non-additive Effect on the Stability of Proteins
2018 (16 publications)
- 2/3D-QSAR, molecular docking and MD simulation studies of FtsZ protein targeting benzimidazoles derivatives
- First evidence of formation of pre-molten globule state in myoglobin: A macromolecular crowding approach towards protein folding in vivo
- Protein stability: Determination of structure and stability of the transmembrane protein Mce4A from M. tuberculosis in membrane-like environment
- Investigation of deleterious effects of nsSNPs in the POT1 gene: a structural genomics‐based approach to understand the mechanism of cancer development
- Purification, modeling and structural insights of calmodulin-binding receptor like cytoplasmic kinase 2 from Oroxylum Indicum
- Protein folding: Molecular dynamics simulations and in vitro studies for probing mechanism of urea- and guanidinium chloride-induced unfolding of horse cytochrome-c
- Sequence, structure and evolutionary analysis of cold shock domain proteins, a member of OB fold family
- Identification of potential inhibitors of sortase A: Binding studies, in-silico docking and protein-protein interaction studies of sortase A from Enterococcus faecalis
- High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV
- Co-circulation of Chikungunya and Dengue viruses in Dengue endemic region of New Delhi, India during 2016
- Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced denaturation
- Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)
- Sugar osmolytes-induced stabilization of RNase A in macromolecular crowded cellular environment
- Comparison of the thermal stabilization of proteins by oligosaccharides and monosaccharide mixtures: Measurement and analysis in the context of excluded volume theory
- Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies
- Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase
2017 (18 publications)
- Estimation of pH effect on the structure and stability of kinase domain of human integrin-linked kinase
- Stabilization of proteins by co-solute engineering: Soft interactions vs volume exclusion
- Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression
- Counteraction of the deleterious effects of urea on structure and stability of mammalian kidney proteins by osmolytes
- Effect of conservative mutations (L94V and L94I) on the structure and stability of horse cytochrome c
- Elucidation of Dietary Polyphenolics as Potential Inhibitor of Microtubule Affinity Regulating Kinase 4: In silico and In vitro Studies
- Macromolecular crowding induces molten globule state in the native myoglobin at physiological pH
- New insights into the antioxidant and apoptotic potential of Glycyrrhiza glabra L. during hydrogen peroxide mediated oxidative stress: An in vitro and in silico evaluation
- Evidence of vanillin binding to CAMKIV explains the anti-cancer mechanism in human hepatic carcinoma and neuroblastoma cells
- Estimation of thermodynamic stability of human carbonic anhydrase IX from urea-induced denaturation and MD simulation studies
- Fas-activated serine/threonine kinase: Structure and function
- Computing disease-linked SOD1 mutations: deciphering protein stability and patient-phenotype relations
- Non-enzymatic glycation enhances human serum albumin binding capacity to sodium fluorescein at room temperature: A spectroscopic analysis
- Bitter Gourd (Momordica charantia): A Natural Gift in Support of the Research in Medicine and Biotechnology
- Characterization of intermediate state of myoglobin in the presence of PEG 10 under physiological conditions
- Protein aggregation, misfolding and consequential human neurodegenerative diseases
- Effect of mammalian kidney osmolytes on the folding pathway of sheep serum albumin
- In-silico analysis of ectodomain G protein of Respiratory Syncytial Virus
2016 (36 publications)
- Binding studies and biological evaluation of β-carotene as a potential inhibitor of human calcium/calmodulin-dependent protein kinase IV
- The pH Dependence of Saccharides' Influence on Thermal Denaturation of Two Model Proteins Supports an Excluded Volume Model for Stabilization Generalized to Allow for Intramolecular Electrostatic Interactions
- Data on the role of accessible surface area on osmolytes-induced protein stabilization
- Size-dependent studies of macromolecular crowding on the thermodynamic stability, structure and functional activity of proteins: in vitro and in silico approaches
- Design, synthesis, and biological evaluation of pyrimidine derivatives as potential inhibitors of human calcium/calmodulin‐dependent protein kinase IV
- Characterization of folding intermediates during urea-induced denaturation of human carbonic anhydrase II
- Purification, preliminary X-ray crystallography and biophysical studies of triose phosphate isomerase-β-globin subunit complex
- Evaluation of human microtubule affinity-regulating kinase 4 inhibitors: fluorescence binding studies, enzyme, and cell assays
- Ubiquitin-associated domain of MARK4 provides stability at physiological pH
- Refolding of urea denatured cytochrome c : Role of hydrophobic tail of the cationic gemini surfactants
- Effect of 1,4-bis(3-dodecylimidazolium-1-yl) butane bromide on channel form of gramicidin vesicles
- Co-infection with Dengue and Chikungunya Viruses
- Exploring Missense Mutations in Tyrosine Kinases Implicated with Neurodegeneration
- Structural insight into C9orf72 hexanucleotide repeat expansions: Towards new therapeutic targets in FTD-ALS
- Protein aggregation and neurodegenerative diseases: From theory to therapy
- Structural and thermodynamic characterisation of L94F mutant of horse cytochrome c
- GdnHCl-induced unfolding intermediate in the mitochondrial carbonic anhydrase VA
- Purification and structural characterization of Mce4A from Mycobacterium tuberculosis
- Structural basis of urea-induced unfolding: Unraveling the folding pathway of hemochromatosis factor E
- Delineating the relationship between amyotrophic lateral sclerosis and frontotemporal dementia: Sequence and structure-based predictions
- Therapeutic progress in amyotrophic lateral sclerosis-beginning to learning
- Effect of pH on the stability of hemochromatosis factor E: a combined spectroscopic and molecular dynamics simulation-based study
- Denatured states of yeast cytochrome c induced by heat and guanidinium chloride are structurally and thermodynamically different
- Characterisation of molten globule-like state of sheep serum albumin at physiological pH
- GdmCl-induced unfolding studies of human carbonic anhydrase IX: a combined spectroscopic and MD simulation approach
- Despite an Extensive Sequence Analysis Identification of Functional Candidates Amongst Hypothetical Proteins of Neisseria gonorrhoeae
- Purification and characterization of RGA2, a Rho2 GTPase-activating protein from Tinospora cordifolia
- Urea-induced denaturation of human calcium/calmodulin-dependent protein kinase IV: a combined spectroscopic and MD simulation studies
- Effect of pH on structure, function, and stability of mitochondrial carbonic anhydrase VA
- Effect of pH on the structure, function, and stability of human calcium/calmodulin-dependent protein kinase IV: combined spectroscopic and MD simulation studies
- Probing pH sensitivity of αC-phycoerythrin and its natural truncant: A comparative study
- Calcium/calmodulin-dependent protein kinase IV: A multifunctional enzyme and potential therapeutic target
- Cloning, expression, purification and characterization of human mitochondrial carbonic anhydrase VA
- Sequence Analysis of Hypothetical Proteins fromHelicobacter pylori26695 to Identify Potential Virulence Factors
- Functional annotation of putative conserved proteins from Borrelia burgdorferi to find potential drug targets
- I J Bio Mac-Online Copy
2015 (21 publications)
- Structure guided design of potential inhibitors of human calcium–calmodulin dependent protein kinase IV containing pyrimidine scaffold
- Testing the dependence of stabilizing effect of osmolytes on the fractional increase in the accessible surface area on thermal and chemical denaturations of proteins
- Chikungunya virus: recent advances in epidemiology, host pathogen interaction and vaccine strategies
- Human Disease Insight: An integrated knowledge-based platform for disease-gene-drug information
- Purification and characterization of oligonucleotide binding (OB)-fold protein from medicinal plant Tinospora cordifolia
- Molecular basis of the structural stability of hemochromatosis factor E : A combined molecular dynamic simulation and GdmCl‐induced denaturation study
- Purification and characterization of Ras related protein, Rab5a from Tinospora cordifolia
- Designing New Kinase Inhibitor Derivatives as Therapeutics Against Common Complex Diseases: Structural Basis of Microtubule Affinity-Regulating Kinase 4 (MARK4) Inhibition
- PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4
- Biophysical characterization of G protein ectodomain of group B human respiratory syncytial virus fromE. coli
- Spectroscopic and MD simulation studies on unfolding processes of mitochondrial carbonic anhydrase VA induced by urea
- Atypical PKC phosphorylates microtubule affinity-regulating kinase 4 in vitro
- Effect of dextran on the thermodynamic stability and structure of ribonuclease A
- Relationship between protein stability and functional activity in the presence of macromolecular crowding agents alone and in mixture: An insight into stability-activity trade-off
- Human microtubule affinity-regulating kinase 4 is stable at extremes of pH
- Structural Characteristics of Stable Folding Intermediates of Yeast Iso-1-Cytochrome-c
- Cooperative Unfolding of Residual Structure in Heat Denatured Proteins by Urea and Guanidinium Chloride
- Thermal Stabilization of Proteins by Mono- and Oligosaccharides: Measurement and Analysis in the Context of an Excluded Volume Model
- Heterogeneity of Equilibrium Molten Globule State of Cytochrome c Induced by Weak Salt Denaturants under Physiological Condition
- Structural characterization of MG and pre-MG states of proteins by MD simulations, NMR, and other techniques
- PKR-inhibitor binds efficiently with human microtubule affinity-regulating kinase 4
2014 (10 publications)
- Characterization of pre-molten globule state of yeast iso-1-cytochrome c and its deletants at pH 6.0 and 25 °C
- Structure-based functional annotation of hypothetical proteins from Candida dubliniensis: a quest for potential drug targets
- Structural Characterization, Homology Modeling and Docking Studies of ARG674 Mutation in MyH8 Gene Associated with Trismus-Pseudocamptodactyly Syndrome
- In vitro and in silico studies of urea-induced denaturation of yeast iso-1-cytochromecand its deletants at pH 6.0 and 25 °C
- Purification and Characterization of Calreticulin: a Ca2+-Binding Chaperone from Sheep Kidney
- A Review of Methods Available to Estimate Solvent-Accessible Surface Areas of Soluble Proteins in the Folded and Unfolded States
- Functional annotation of putative hypothetical proteins from Candida dubliniensis
- Cloning, Expression, Purification and Refolding of Microtubule Affinity-Regulating Kinase 4 Expressed in Escherichia coli
- Folding and stability studies on C-PE and its natural N-terminal truncant
- Expression of heat shock protein 90 alpha (Hsp90α) in primary neonatal rat myocardial cells exposed to various periods of heat stress in vitro
2013 (6 publications)
- Effect of sequential deletion of extra N-terminal residues on the structure and stability of yeast iso-1-cytochrome-c
- Testing the Ability of Non-Methylamine Osmolytes Present in Kidney Cells to Counteract the Deleterious Effects of Urea on Structure, Stability and Function of Proteins
- Living in a crowded environment: A thermodynamic approach
- Human β -Glucuronidase: Structure, Function, and Application in Enzyme Replacement Therapy
- The role of key residues in structure, function, and stability of cytochrome-c
- Microtubule Affinity-Regulating Kinase 4: Structure, Function, and Regulation
2012 (2 publications)
2011 (4 publications)
- Interdisciplinary sciences biophysical characterization of cochinin B, A ribosome inactivating protein
- Effect of crowding agent on the thermal stability of ribonuclease-A
- Predicting the stability of protein using its atomic coordinates in Protein Data Bank (PDB)
- Effects of transportation on expression of Hsp90, Hsp70, Hsp27 and αB‐crystallin in the pig stomach
2009 (1 publication)
2008 (2 publications)
2007 (3 publications)
- Role of unique basic residues of human pancreatic ribonuclease in its catalysis and structural stability
- Structure–function studies of Murraya koenigii trypsin inhibitor revealed a stable core beta sheet structure surrounded by α-helices with a possible role for α-helix in inhibitory function
- Guanidinium chloride and urea denaturations of β-Lactoglobulin A at pH 2.0 and 25 °C: The equilibrium intermediate contains non-native structures (helix, tryptophan and hydrophobic patches)