Publications by authors named "Samima Khatun"

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Exploring DPP-4: Implications in diverse diseases and structural insights for novel inhibitor design.
Ritam Dutta, Samima Khatun, Payel Ghosh, Pramit Kumar Dey, Shovanlal Gayen

Bioorg Chem· October 2025

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Dengue virus-host interactions: Structural and mechanistic insights for future therapeutic strategies.
Moumita Khanra, Indrani Ghosh, Samima Khatun, Nilanjan Ghosh, Shovanlal Gayen

J Struct Biol· June 2025

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Histone deacetylase 8 in focus: Decoding structural prerequisites for innovative epigenetic intervention beyond hydroxamates.
Samima Khatun, Indrasis Dasgupta, Sourish Sen, Sk Abdul Amin, Insaf Ahmed Qureshi

Int J Biol Macromol· January 2025

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Nitrogen-containing heterocycles as important scaffold for selective and potent HDAC8 inhibition: a step towards effective, non-toxic and selective HDAC8 inhibitor discovery.
Samima Khatun, Rakibul Islam, Sk Abdul Amin, Arijit Bhattacharya, Devendra Kumar Dhaked

J Biomol Struct Dyn· December 2024

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Unveiling critical structural features for effective HDAC8 inhibition: a comprehensive study using quantitative read-across structure-activity relationship (q-RASAR) and pharmacophore modeling.
Samima Khatun, Indrasis Dasgupta, Rakibul Islam, Sk Abdul Amin, Tarun Jha

Mol Divers· August 2024

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Unraveling HDAC11: Epigenetic orchestra in different diseases and structural insights for inhibitor design.
Samima Khatun, Rinki Prasad Bhagat, Ritam Dutta, Anwesha Datta, Abhishek Jaiswal

Biochem Pharmacol· July 2024

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Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics.
Sourav Sardar, Jyotisha, Sk Abdul Amin, Samima Khatun, Insaf Ahmed Qureshi

J Biomol Struct Dyn· July 2024

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Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectives.
Samima Khatun, Rinki Prasad Bhagat, Sk Abdul Amin, Tarun Jha, Shovanlal Gayen

Comput Biol Med· June 2024

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HDAC9 as a Privileged Target: Reviewing its Role in Different Diseases and Structure-activity Relationships (SARs) of its Inhibitors.
Totan Das, Samima Khatun, Tarun Jha, Shovanlal Gayen

Mini Rev Med Chem· May 2024

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Advances in structure-activity relationships of HDAC inhibitors as HIV latency-reversing agents.
Samima Khatun, Sk Abdul Amin, Debasmita Choudhury, Boby Chowdhury, Tarun Jha

Expert Opin Drug Discov· March 2024

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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, Sanjib Das, Tarun Jha

Eur J Med Chem· October 2023

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Imidazopyridine, a promising scaffold with potential medicinal applications and structural activity relationship (SAR): recent advances.
Samima Khatun, Abhinav Singh, Ghulam N Bader, Firdoos Ahmad Sofi

J Biomol Struct Dyn· December 2022

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Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-review.
Md Moinul, Samima Khatun, Sk Abdul Amin, Tarun Jha, Shovanlal Gayen

Biochem Pharmacol· December 2022

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Remdesivir: Mechanism of Metabolic Conversion from Prodrug to Drug.
Saumya Kapoor, Gurudutt Dubey, Samima Khatun, Prasad V Bharatam

Curr Drug Metab· May 2022

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Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity.
Chaitanya K Jaladanki, Samima Khatun, Holger Gohlke, Prasad V Bharatam

Chem Res Toxicol· June 2021

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Characterization of interactions between cromolyn sodium and bovine serum albumin by spectroscopic, calorimetric and computational methods.
Shama Yasmeen, Riyazuddeen, Samima Khatun, Faizan Abul Qais

J Biomol Struct Dyn· February 2020

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Interaction of colchicine with BSA: spectroscopic, calorimetric and molecular modeling approaches.
Samima Khatun, Riyazuddeen

J Biomol Struct Dyn· September 2018

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