Author

R. Somani

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Sep 2026

In-Silico Evaluation of Anti-Leukemic Potential of Selected Phytoconstituents from Withania Somnifera (L.)

Introduction: Leukemia, a diverse group of hematological malignancies, poses a persistent clinical challenge despite advances in therapy. The exploration of natural products as anti-cancer agents has gained momentum, with Withania somnifera (L.) (Ashwagandha), a key Rasayana herb in Ayurveda, showing potential due to i...

R. Somani · Natural Resources for Human... · 0 citations

Aug 2026

Synthesis, In-Vitro, and In-silico analysis of Repurposed Substituted 2,7-Dimethylimidazo [1,2-a]Pyridine-3-Carboxamide based α-Amylase inhibitors via docking, MMGBSA, dynamics simulation techniques and pharmacokinetic evaluation

In-silico ADME studies indicated favorable pharmacokinetic properties, including high gastrointestinal absorption, low TPSA, BBB permeability, and compliance with Lipinskis rule, while toxicity prediction suggested acceptable safety profiles for the synthesized derivatives, highlighting their potential as promising α-a...

Suraj N. Mali, Prachi Singh, Somdatta Y. Chaudhari et al. · Journal of Computational Bio... · 0 citations

Review Sep 2026

Artificial intelligence in toxicology: current advances, challenges and future directions.

This review critically evaluates the evidence base for AI-based toxicity prediction, assesses current challenges and considers the trajectory toward next-generation risk assessment, which requires adherence to the TREAT validation principles and sustained regulatory engagement.

Kamil Kuča, Siddhi Otari, Namrata Singh et al. · Archives of Toxicology · 0 citations