BIOTROPIC
Vol. 8 No. 2 (2024): Biotropic, Volume 8 Nomor 2, 2024

Kajian Farmakoinformatika Senyawa Caulerchlorin dan Racemosin sebagai kandidat Antimalaria

Dewi Ratih Tirto Sari (Program studi Farmasi, Fakultas Ilmu Kesehatan, Universitas Ibrahimy, Situbondo, Indonesia)
Nadia Humairoh (Program studi Farmasi, Fakultas Ilmu Kesehatan, Universitas Ibrahimy, Situbondo, Indonesia)
Intani Quarta Lailaty (Pusat Riset Botani Terapan, Badan Riset Inovasi Nasional (BRIN), Indonesia)
Gabriella Chandrakirana Krisnamurti (Biotechnology, SBT, King Mongkut University of Technology Thonburi, Thailand)
Siti Zamilatul Azkiyah (Program studi Farmasi, Fakultas Ilmu Kesehatan, Universitas Ibrahimy, Situbondo, Indonesia)



Article Info

Publish Date
21 Sep 2024

Abstract

Caulerchlorin and racemosin were bioactive compounds containing in Caulerpa racemosa macroalgae. Previous study, those compounds promoted therapeutical target on metabolic syndrome. However, the therapeutical activity on Malaria not yet defined. Therefore, this study investigated potential activity of caulerchlorin and racemosin from Caulerpa racemosa as antimalarial activity through pharmacoinformatic study. Caulerchlorin and racemosin structures were retrieved from PubChem NCBI and the Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) structure was taken out from Protein database with ID 5GJG. Orotic acid was used as native ligand or control. Ligands were predicted their antiplasmodial activity and toxicity. Ligands and protein were interacted by redocking using Molegro Virtual Docker version 6.0 and analyzed by using PyMol 2.3 and Discovery Studio version 21.1.1. Two bioactive compounds also showed antiplasmodial activity and were not mutagenicity and hepatotoxicity affections. Molecular docking performed that caulerchlorin and racemosin exhibited same active residues as well as orotic acid as native substrate. Binding energy revealed two compounds, caulerchlorin and racemosin showed lower binding energy than orotic acid. In summary caulerchlorin and racemosin were potentially inhibited PfDHODH activity by binding substrate sites of PfDHODH protein.

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Journal Info

Abbrev

biotropic

Publisher

Subject

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Immunology & microbiology

Description

Biotropic : The Journal of Tropical Biology publish articles on South East Asia Tropical Biology from various perspectives, covering both literary and fieldwork studies. The Journal put empahis on aspects related to: Ecology Zoology Botany Microbiology Biology molecular Biospeleology Conservation ...