Ethnopharmacology and Computer-Aided Tandem Protocol to Search for Antimalarial Agents from Indonesian Medicinal Plants: HAP Inhibitor

Adinda Kusuma Pertiwi (Drug Utilisation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Muhammad Habiburrohman (Drug Utilisation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Yoshinta Debby (Drug Utilisation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Bawon Triatmoko (Drug Utilisation and Discovery Research Group, Faculty of Pharmacy, University of Jember, Jember, Indonesia 68121)
Ari Satia Nugraha (Drug Utilisation 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)

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.