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Fitoterapia|January 2, 2007
Antibacterial activity of Abies webbianaSatya Prakash Vishnoi, Ashoke Kumar Ghosh, Bikash Debnath, et al.
Journal of Biomolecular Structure & Dynamics|June 21, 2023
Interaction of systemic drugs causing ocular toxicity with organic cation transporter: an artificial intelligence predictionManisha Malani, Manthan S Hiremath, Surbhi Sharma, et al.
Bioorganic Chemistry|September 6, 2025
Exploring DPP-4: Implications in diverse diseases and structural insights for novel inhibitor designRitam Dutta, Samima Khatun, Payel Ghosh, et al.
European Journal of Medicinal Chemistry|December 24, 2014
Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agentsChanchal Mondal, Amit Kumar Halder, Nilanjan Adhikari, et al.
Journal of Biomolecular Structure & Dynamics|December 24, 2024
Nitrogen-containing heterocycles as important scaffold for selective and potent HDAC8 inhibition: a step towards effective, non-toxic and selective HDAC8 inhibitor discoverySamima Khatun, Rakibul Islam, Sk Abdul Amin, et al.
Molecular Diversity|June 13, 2024
Unveiling critical structural features for effective HDAC8 inhibition: a comprehensive study using quantitative read-across structure-activity relationship (q-RASAR) and pharmacophore modelingSamima Khatun, Indrasis Dasgupta, Rakibul Islam, et al.
Computational Biology and Chemistry|July 14, 2024
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approachSubham Dawn, Prabir Manna, Totan Das, et al.
Analytical Methods : Advancing Methods and Applications|February 25, 2026
A multimodal approach integrating spectroscopy, deep learning guided molecular docking, and molecular dynamics simulation for predictive assessment of pioglitazone to albumin binding for formulation developmentSaswata Banerjee, Sk Abdul Amin, Shovanlal Gayen, et al.
International Journal of Biological Macromolecules|November 28, 2024
Histone deacetylase 8 in focus: Decoding structural prerequisites for innovative epigenetic intervention beyond hydroxamatesSamima Khatun, Indrasis Dasgupta, Sourish Sen, et al.
Molecular Diversity|May 23, 2026
An integrated machine learning and chemical space network approach for the design of potent epigenetic HDAC6 inhibitors for targeting neurological disordersIndrasis Dasgupta, Rupchand Pandit, Vijeta Jha, et al.
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