In-silico ADMET PROFILING AND DOCKING ANALYSIS OF ANTIMALARIAL ACTIVITY OF SULFONAMIDE-ATTACHED COUMARIN- [1,2,3]-TRIAZOLES

Malaria remains a significant global health challenge, particularly in tropical and subtropical regions, with drugresistant Plasmodium strains intensifying the need for new therapies. This study investigates the potential of sulfonamide-attached coumarin [1,2,3] triazoles as antimalarial agents. The 3K60 protein, specifically the Hsp90 protein from Plasmodium falciparum, was selected for molecular docking due to its critical role in parasite survival. Validation using the Ramachandran plot and wwPDB confirmed the suitability of the 3K60 protein for this research. Molecular docking analyses of compounds A1 to B15 revealed several promising candidates based on binding affinities and structural stability. ADME profiling categorizes compounds into high and low absorbers, offering insights into pharmacokinetics and potential drug-drug interactions. Toxicity assessments showed most compounds were safe, with minimal toxicity endpoints for selected candidates. The study highlights compounds A12, B6, B5, A8, and A11 as leading candidates for further exploration, offering potential therapeutic options against malaria, particularly drug-resistant strains. These findings underline the importance of innovative approaches to antimalarial drug discovery, providing hope in the fight against this persistent disease.