Fathima C. Zakiya

Computational Design and Virtual Screening of Enumeration-Generated Benzothiazinone Derivatives as Cholinesterase Inhibitors Using Pharmacophore Modelling, Molecular Dynamics, DFT and ML-Based Predictive Modelling Analysis

Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are key cholinergic targets implicated in Alzheimer’s disease (AD), and simultaneous modulation of these enzymes represents a promising strategy for addressing cholinergic dysfunction. In the present study, a comprehensive computational approach was employed...