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All Journal Nusantara Science and Technology Proceedings
Naura Bathari Winarto
Drug Utilitation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121
Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Economics, Econometrics & Finance Engineering Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology

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Virtual Screening the Interaction of Various Compound from Indonesian Plants with the HGXPRT Enzyme to Find a Novel Antimalarial Drug Wilda Nur Rohmatillah; Naura Bathari Winarto; Arthur Hariyanto Prakoso; Bawon Triatmoko; Ari Satia Nugraha
Nusantara Science and Technology Proceedings International Conference on Life Sciences and Biotechnology (ICOLIB)
Publisher : Future Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11594/nstp.2021.0805

Abstract

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.
Co-Authors Ari Satia Nugraha Arthur Hariyanto Prakoso Bawon Triatmoko Wilda Nur Rohmatillah