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Ryena Dhir

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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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