Rational Design and In Silico Evaluation of Benzimidazole Derivatives as Potential Antimalarial Agents
Quantitative Structure–Activity Relationship (QSAR) and molecular docking studies were performed on a series of 40 benzimidazole analogues to identify structural features associated with antimalarial activity. CoMFA, CoMSIA, and HQSAR models developed using a training set of 32 compounds demonstrated good statistical r...