Md. Imtaiyaz Hassan

TIFR Centre for Interdisciplinary Sciences — India

Computer Science · Physical Sciences

69h-index21.9kcitations873works6.12yr avg

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Research Topics

Computational Drug Discovery Methods(105), Protein Structure and Dynamics(81), Enzyme Structure and Function(58), Alzheimer's disease research and treatments(42), Protein Interaction Studies and Fluorescence Analysis(42)

Publications869 total

Marine-derived Peptides As Anti-biofilm and Anti-virulence Agents: Mechanistic Insights and Applications Against Microbial Pathogens

Probiotics and Antimicrobial Proteins·2026

Stability and Conformational Dynamics of Interferons: Structural Insights into the Urea- and Guanidinium Chloride-Induced Unfolding

ACS Omega·2026Open Access

Next-generation computational strategies for neurodegenerative biomarkers: Multi-omics integration, AI, and molecular modeling

Computational Biology and Chemistry·2026

Structure-guided design and evaluation of oxazolone-based PIM-1 kinase inhibitors with promising anticancer activity

Journal of Biomolecular Structure and Dynamics·2026

Exploring the intersection of Alzheimer's disease and comorbidities: a review of the interplay between multiple chronic conditions

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease·2026

Synergistic effect of the rifaximin–berberine combination against <i>Klebsiella pneumoniae</i>: RfaH targeting supported by MD simulation

1 cited

Biomolecules and Biomedicine·2026· 1 citedOpen Access

Elucidating the inhibitory potential of berberine chloride against PIM-1 kinase for anticancer therapeutics

Journal of Molecular Liquids·2026

Structure-guided design and evaluation of oxazolone-based PIM-1 kinase inhibitors with promising anticancer activity

Figshare·2026Open Access

Structure-guided design and evaluation of oxazolone-based PIM-1 kinase inhibitors with promising anticancer activity

Figshare·2026Open Access

Unmasking Vulnerabilities in the Age of COVID-19: A Comprehensive Review

Journal of Integrated Health·2025Open Access

Structure-based identification of Jervine as a potent dual-targeting inhibitor of cell cycle kinases

Frontiers in Pharmacology·2025Open Access

Targeting cancer metabolism through p-cresol mediated Inhibition of pyruvate dehydrogenase kinase 3 in lung cancer

Scientific Reports·2025Open Access

Redefining the Diagnostic and Therapeutic Landscape of Non-Small Cell Lung Cancer in the Era of Precision Medicine

3 cited

Journal of Clinical Medicine·2025· 3 citedOpen Access

Applications of Genome Sequencing in Infectious Diseases: From Pathogen Identification to Precision Medicine

2 cited

Pharmaceuticals·2025· 2 citedOpen Access

Exploring Morin hydrate as a natural thymidine kinase inhibitor to combat Staphylococcus aureus infection

1 cited

International Journal of Biological Macromolecules·2025· 1 cited

Repurposing rifaximin against Klebsiella pneumoniae via targeting of transcription anti-termination protein RfaH for novel antimicrobial development

Biochemical and Biophysical Research Communications·2025

Combinatorial Therapy Using Noscapine and Radicicol for Enhanced Treatment of Lung Cancer by targeting Pyruvate Dehydrogenase Kinase 3

Free Radical Biology and Medicine·2025

Investigating the Roles of MAPKs as Precision Oncology Targets: A Multi-cancer Expression and Survival Study

Cancer Genomics & Proteomics·2025Open Access

Molecular docking and dynamics in protein serine/threonine kinase drug discovery: advances, challenges, and future perspectives

1 cited

Frontiers in Pharmacology·2025· 1 citedOpen Access

Isothermal titration calorimetry: A thermodynamic window into natural product binding with cancer targets

Elsevier eBooks·2025

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Frequent Co-authors

Asimul Islam(22), Faizan Ahmad(19), Taj Mohammad(18), Anas Shamsi(11), Gulam Mustafa Hasan(9), Parvez Κhan(9), Saleha Anwar(8), Mohamed F. Alajmi(8), Afzal Hussain(8), Md Tabish Rehman(6), Manzar Alam(5), Mohd Adnan(5), Faez Iqbal Khan(5), Sabeeha Ali(4), Mohd Shahbaaz(4), Aarfa Queen(4), Urooj Fatima(3), Abdül Waheed(3), William S. Sly(3), Dharmendra Kumar Yadav(3)