STRUCTURE BASED VIRTUAL SCREENING IN SEARCH OF POTENTIAL INHIBITORS AGAINST HGPRT AS TARGET FOR PLASMODIUM FALCIPARUMAbstract
Malaria is a parasitic infectious disease transmitted through the bite of female Anopheles mosquitos. Every year, approximately 210 million Peoples are suffering from this dangerous disease, and around 440,000 individuals pass from this infectious disease. Recently, the Indonesia Ministry of Health declared that the malaria pre-elimination stage should be reached by 2020 and be free of malaria transmission by 2030 to achieve the goal of an Asia-Pacific free of malaria by 2030. So, this study focused on the discovery of novel anti-malarial and medication targets against malaria. The three-dimensional (3D) structures of PFHGPRT, HSHGPRT, and TCHGPRT were used for comparative docking study, while two inhibitors 6-(2, 2-Dichloro-acetamido) chrysene and GMP-2′, 3′-dialdehyde were used as a lead for designing and discovery of potential inhibitor of PFHGPRT with the help of various software. The three-dimensional structure (3D) of pfHGPRT (3OZF) and (4RAO) PfHGPRT was isolated from its intricate structure and was utilized for docking study, and comparably, HsHGPRT was isolated from its perplexing structure, and it also utilized for docking study. (3OZF) and (4RAO) hsHGPRT (3GEP) and (3GGJ) increasingly solid official and in this manner, it will offer better PFHGPRT hindrance for bringing wellness among the sufferer of Plasmodium-infected individuals. After binding energy calculation, this study emphasizes the need of the synthesis of PFHGPRT lead molecule against malaria and then preclinical/clinical studies of such PFHGPRT inhibitors could help in controlling malaria more effectively in the future.
P. Verma *, B. Chauhan, A. K. Gupta and Peeyush
Adarsh Vijendra Institute of Pharmaceutical Sciences, Shobhit University Gangoh, Saharanpur, Uttar Pradesh, India.
05 April 2020
29 June 2020
16 August 2020
01 April 2021