Virtual Screening the Interaction of Various Compound from Indonesian Plants with the HGXPRT Enzyme to Find a Novel Antimalarial Drug

Wilda Nur Rohmatillah (Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Naura Bathari Winarto (Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Arthur Hariyanto Prakoso (Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Bawon Triatmoko (Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Ari Satia Nugraha (Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)

Nusantara Science and Technology Proceedings
International Conference on Life Sciences and Biotechnology (ICOLIB)

Medicinal plants have been a notable source for antimalarial agents. This study was aimed to investigate the antimalarial potency of Indonesian medicinal plants used traditionally in malarial fever therapy. A total of 238 compounds derived from 43 plants traditionally used to alleviate malarial fever were collected and loaded into molecular docking protocol. The compounds were screened against Hypoxanthine-Guanine-XanthinePhosphoribosyltransferase (HGXPRT, 3OZF) using the AutoDock Vina software 1.1.2. The compound is important for the purine synthesis of the parasite. The experiment resulted in AM125 (20-isoveratramine) from Cyanthillium patulum to possess the highest affinity with free energy (?G)-11 kcal/mol, which is better than HGXPRT native ligands (-6.4kcal/mol). This suggested Cyanthillium patulum was a potential source for antimalarial agents in which its constituents, 20-isoveratramine might responsible for the claims.