Computational drug repositioning approach to predict multi-target therapeutics for epilepsy.

ABSTRACT: Epilepsy affects millions of people globally, with approximately one-third of patients experiencing drug-resistant seizures. Developing new anti-epileptic drugs is time-intensive and costly, prompting interest in computational drug repositioning strategies. Here, we report on a comprehensive drug repositioning approach to identify the multi-targeted therapeutic option(s) for epileptic seizures. All approved drugs from the DrugBank database were screened for their anti-epileptic properties, which involved predicting their blood-brain permeability and clustering them based on structural similarity with marketed anti-epilepsy drugs. The screened drugs were subjected to molecular docking against previously identified therapeutic target proteins (Voltage-Gated Sodium Channel α2; GABA receptor α

SUBMITTER: Kumar P 

PROVIDER: S-EPMC12708636 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature