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All Journal Nusantara Science and Technology Proceedings
Adinda Kusuma Pertiwi
Drug Utilisation 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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Ethnopharmacology and Computer-Aided Tandem Protocol to Search for Antimalarial Agents from Indonesian Medicinal Plants: HAP Inhibitor Adinda Kusuma Pertiwi; Muhammad Habiburrohman; Yoshinta Debby; 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.2021.0802

Abstract

The anti-malarial potency of Indonesian medicinal plants was evaluated through computational study. From 43 Indonesian medicinal plants, 238 previously reported compounds were carefully docked into HAP (histo-aspartic protease) with codename 3FNT in which the enzyme plays an important catalytic role in Plasmodium falciparum innate metabolism. Exhaustive docking experiments produced 6 best hits molecules including AM210 (4-hydroxy- 3-methoxy strychnine), AM213 (protostrychnine), and AM216 (pseudostrychnine) which have less free energy compared to HAP native ligand, 1,2-ethanediol. This study revealed the potency of Strychnos nux-vomica L. as a source for antimalaria and support its traditional claims.
Co-Authors Ari Satia Nugraha Bawon Triatmoko Muhammad Habiburrohman Yoshinta Debby