The study evaluated Withaferin-A's interaction with the drug target α-amylase using a computational approach to determine its inhibitory potential and mechanisms of action.
Various computational methods, including molecular dynamics simulations and docking, were employed to investigate the atomic-level details and pharmacological properties of Withaferin-A derived from W. somnifera.
Results showed a strong binding affinity of Withaferin-A to α-amylase, identifying key molecular interactions that could inform future research on designing α-amylase inhibitors for potential anti-obesity applications.