Role of Glycomimetics in treatment of malaria

Bioinformatics

Background:Increased resistance to anti-malarial drugs has caused a havoc, tolling many lives It has become an imminent need of hour is to find therapeutics drugs with novel mechanism of action. In the present study,we intended to study the invasion inhibitory potential of drugs belonging to the class of Glycomimetics. Methodology: Molecular docking study was performed with eight drug molecules. 3-dimensional chemical structures of molecules were prepared through UCSF Chimera and Autodock Tools freeware.Further, Molecular docking study was performed using AutoDockVina ,Discovery studio 4.5 was used to predict the active site of target sites and PyMol to visualise the induced fit docking. Results: The preliminary experimental study demonstrated that Acarbose and Hyaluronic acid show good binding efficacy to all the target proteins of Plasmodium species. On the basis of molecular docking studies it can be suggested that Acarbose and Hyaluronic acid are potential inhibitors of merozoite invasion into erythrocytes. However, further in-vitro and in-vivo studies needs to be performed for further drug development process.

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