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Pitam Ghosh

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Review Sep 2026

Computational and Natural Product Strategies in Anti-leishmanial Drug Discovery.

A critical synthesis of data from both natural product bioactivity catalogues and methodology reviews is provided to evaluate the translational feasibility of selected natural products with respect to their selectivity index and tiered classification for in vivo validation purposes.

Debajyoti Roy, Pitam Ghosh, Maitrayee Ghosh et al. · 0 citations
Aug 2026

Integrated Computational Design and Discovery of Novel Indole-Linked Guanidine Derivatives as BACE-1 Inhibitors for Alzheimer's Disease

Alzheimer’s disease (AD) is a chronic, progressive neurodegenerative disorder predominantly affecting 47 million people worldwide. Dysregulation of BACE-1, the initiating enzyme in the amyloidogenic cascade, plays a pivotal role in AD pathogenesis. Conventional anticholinesterase inhibitors can only provide symptomat...

Pitam Ghosh, Ryena Dhir, Dinki Sharma et al. · 0 citations
Review Open access Jul 2026

AI-driven computational drug design: tools, workflow and challenges

This review focuses on the AI-based approaches for target discovery, virtual screening, molecular generation, lead optimization, retro-synthesis, and structural modeling while also addressing issues of dataset bias, reproducibility, and real-world applicability.

Ryena Dhir, Pitam Ghosh, Dinki Sharma et al. · 0 citations

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