Acta Chimica Asiana
Vol. 3 No. 1 (2020)

Analysis Docking Of Plasmodium Falciparum Enoyl Acyl Carrier Protein Reductase (Pfenr) With Organic Compunds From Virtual Screening Of Herbal Database

Nya Daniaty Malau (Department of Physics Education, Indonesia Christian University, Indonesia)
St Fatimah Azzahra (Department of Chemistry Education, Indonesia Christian University, Indonesia)

Article Info

Publish Date
28 Feb 2020

Abstract

Malaria is one of problematic infectious diseases worldwide. The absence of an effective vaccine and the spread of drug resistant strains of Plasmodium clearly indicate the necessity for the deveploment of new chemotherapeutic agents. Recent method being developed is searching a new drug of antimalarial using in silico screening, or also known as virtual screening. One of enzyme target that important for growth of the malaria parasite is Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR). Inhibition of this enzyme cause the fatty acid biosynthesis type II will be terminated. In this research, in silico screening was performed using AUTODOCK VINA software to find inhibitor candidates of PfENR by using ligands from the database of Medicinal Plants in Indonesia. On the AUTODOCK VINA software moleculer docking experiments were performed between ligands and macromolecule target PfENR. This target that has been optimized with residue removal and charges addition. Ligand is expected to be the PfENR inhibitors.

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Journal Info
Acta Chimica Asiana
Website

Abbrev

ACA

Publisher

Universitas Mataram

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Materials Science & Nanotechnology

Description

Acta Chimica Asiana (online ISSN 2550-0503, print ISSN 2550-049x) is a peer-reviewed, open access journal that publishes high-quality original research articles as well as review articles and short communication in all areas of Chemistry, including Chemical Education and Chemical Engineering. The ...