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Molecular Informatics|February 15, 2026
Read-Across Structure-Property Relationship-Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum DescriptorsIndrasis Dasgupta, Samima Khatun, Shovanlal Gayen
Journal of Biomolecular Structure & Dynamics|March 2, 2019
Characterization of interactions between cromolyn sodium and bovine serum albumin by spectroscopic, calorimetric and computational methodsShama Yasmeen, Riyazuddeen, Samima Khatun, et al.
Mini Reviews in Medicinal Chemistry|October 11, 2023
HDAC9 as a Privileged Target: Reviewing its Role in Different Diseases and Structure-activity Relationships (SARs) of its InhibitorsTotan Das, Samima Khatun, Tarun Jha, et al.
Current Drug Metabolism|December 29, 2021
Remdesivir: Mechanism of Metabolic Conversion from Prodrug to DrugSaumya Kapoor, Gurudutt Dubey, Samima Khatun, et al.
Journal of Biomolecular Structure & Dynamics|November 15, 2021
Imidazopyridine, a promising scaffold with potential medicinal applications and structural activity relationship (SAR): recent advancesSamima Khatun, Abhinav Singh, Ghulam N Bader, et al.
Chemical Research in Toxicology|April 26, 2021
Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and ToxicityChaitanya K Jaladanki, Samima Khatun, Holger Gohlke, et al.
Journal of Structural Biology|March 16, 2025
Dengue virus-host interactions: Structural and mechanistic insights for future therapeutic strategiesMoumita Khanra, Indrani Ghosh, Samima Khatun, et al.
European Journal of Medicinal Chemistry|July 10, 2023
Are inhibitors of histone deacetylase 8 (HDAC8) effective in hematological cancers especially acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL)?Sk Abdul Amin, Samima Khatun, Shovanlal Gayen, et al.
Biochemical Pharmacology|October 20, 2022
Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-reviewMd Moinul, Samima Khatun, Sk Abdul Amin, et al.
Computers in Biology and Medicine|April 24, 2024
Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectivesSamima Khatun, Rinki Prasad Bhagat, Sk Abdul Amin, et al.
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