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International Conference on Life Sciences and Biotechnology (ICOLIB)

Issue Published : Mar 9, 2021

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

https://doi.org/10.11594/nstp.2021.0802
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

Corresponding Author(s) : Ari Satia Nugraha

arisatia@unej.ac.id

Nusantara Science and Technology Proceedings, International Conference on Life Sciences and Biotechnology (ICOLIB)
Article Published : Mar 9, 2021

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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.

Keywords

HAP inhibitor Molecular docking Antimalaria Striychnos nux-vomica

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ISSN : 2622-9692

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