IJFANS International Journal of Food and Nutritional Sciences

ISSN PRINT 2319-1775 Online 2320-7876

VIRTUAL SCREENING AND ADME/PHARMACOKINETIC STUDIES OF TRICLOSAN ANALOGS AS INHIBITORS OF THE FABI PROTEIN FROM PLASMODIUM FALCIPARUM

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Dr. Vivek Srivastava

Abstract

Malaria, caused by Plasmodium falciparum, remains a significant global health crisis, further compounded by the rise of drug-resistant strains. The FabI enzyme, integral to the fatty acid biosynthesis pathway in P. falciparum, represents a promising target for novel antimalarial drug development. This study focuses on evaluating triclosan analogs as potential inhibitors of FabI. Utilizing virtual screening, we examined a diverse library of triclosan derivatives to determine their binding affinities to the FabI enzyme from P. falciparum. In addition, we assessed the Absorption, Distribution, Metabolism, and Excretion (ADME) properties and pharmacokinetic profiles of these analogs using advanced computational tools. The results revealed several triclosan analogs with high binding affinities, demonstrating strong interactions with the active site of FabI. Furthermore, these analogs exhibited favorable ADME characteristics, including high gastrointestinal absorption and good permeability, along with promising pharmacokinetic parameters such as suitable half-lives and clearance rates. These findings highlight the potential of triclosan analogs as viable candidates for further development as antimalarial agents. This research lays a solid foundation for future experimental validation through in vitro and in vivo studies, potentially advancing the development of new therapeutic options against malaria.

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