Invasion inhibitory antimalarial activity of Macrolides

Bioinformatics

Background: Malarial drug resistance is becoming a serious concern. Drug designing is a cumbersome and time taking process. The need of hour is to repurpose the existing drugs. The invasion inhibitory potential of Azithromycin has long been known through in-vitro and in-vivo studies. Here we intended to study the invasion inhibitory potential of drugs belonging to the class of macrolideantibiotics. Methodology: Molecular docking study was performed with fourteen drug molecules.The three-dimensional chemical structures of molecules were prepared through UCSF Chimera and Autodock Tools freeware. Molecular docking study was performed using AutoDockvina, Discovery studio 4.5 and PyMol was used to predict the active site of target sites. Results: The preliminary experimental study demonstrated that in comparison with Azithromycin, Pristinamycinshows good binding efficacy to all the target proteins. Hence, it can be suggested thar Pristinamycinis a potential inhibitor of merozoite invasion into erythrocytes. However, detailed in-vitro and in-vivo studies needs to be performed for further drug development process.

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