Swati Rani

Integrating Molecular Docking, Dynamics, and AI-Based ADMET Prediction to Decipher the Toxicity Profile of Isometamidium Chloride Against Animal Trypanosomiasis

Isometamidium chloride (ISM) is a widely used trypanocidal drug for treating animal trypanosomiasis, despite concerns about toxicity, and emerging drug resistance. A comprehensive in silico evaluation integrating molecular interaction analysis, pharmacokinetic profiling, toxicity prediction, and molecular dynamics simu...