An In Silico Approach for Targeting Plasmodium Phosphatidylinositol 4-Kinase to Eradicate Malaria

摘要

Accomplishing the destination of malaria evacuation will depend upon directing Plasmodium pathways necessity throughout all life stages. Here, we selected a lipid kinase, phosphatidylinositol 4-kinase (PI4K), as the potential drug target, In order to achieve a novel antimalarial compound that inhibits the intracellular development of multiple Plasmodium species at each stage of infection in the vertebrate host. Virtual screening was performed against more than thousands of compounds from ZINC database to get some potent natural compounds which are able to inhibit PI4K. Binding affinity of screened compounds was compared with well-known inhibitor like Primaquine as a reference molecule, by analyzing their docking score and binding efficiency with the receptor. ADMET properties of the obtained screened compounds were analyzed to check drug like property. Based on the aforementioned analysis, it has been suggested that these screened potent compounds are capable to inhibit PI4K for the prevention, treatment and elimination of malaria.