R. Somani

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...

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...

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