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

In Silico Study of Histo-aspartic Protease (HAP) Inhibitor from Indonesian Medicinal Plants: Anti-malarial Discovery

Dinar Mutia Rani (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)



Article Info

Publish Date
07 Mar 2021

Abstract

Malaria is an infectious disease caused by Plasmodium sp with the highest clinical incidence of 12.07% in Indonesia. New anti-malaria compounds are needed to replace antimalarial drugs that are already resistant nowadays. One of the efforts to find a new anti-malaria drug is through research on traditional medicinal plants used by Indonesian tribes from the ethnopharmacology database. In silico studies provide saving solutions in the process of computer-aided drug design. Histo-aspartic protease (HAP) is essential for the growth of Plasmodium falciparum and has been validated as an antimalarial drug target. Therefore, molecular docking was used to provide new insights into the development of drugs by targeting HAP protease. There are 238 compounds from 43 medicinal plants used as targeting ligand in this study prepared by Autodock Vina for an automated docking tool. The comprehensive docking protocol was valid showed by the RMSD value of 1,275 Å. The result obtained that AM50 (borrasosides A) from Borassus flabellifer was found to have the least affinity score of -10.1 kcal/mol higher compared to the native ligand. In conclusion, we are assuming that the mechanism of borrasosides A compound might get involved with HAP. Further protocols are required to prove the HAP inhibition towards Plasmodium falciparum.

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Journal Info

Abbrev

nuscientech

Publisher

Subject

Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Economics, Econometrics & Finance Engineering Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology

Description

NST Proceeding supports regional research communities to globalise their findings in Science and Technology by providing an open access, online platform in line with international publishing standards and indexing scholarly conference proceedings. The current emphasis of the NST Proceeding includes ...