IN-SILICO SCREENING AGAINST ANTIMALARIAL TARGET PLASMODIUM FALCIPARUM ENOYL-ACYL CARRIER PROTEIN REDUCTASE


BERWI FAZRI PAMUDI

Abstract


Objective: Malaria is a parasitic infection that causes worldwide health problems. The absence of an effective vaccine and Plasmodium strains that are
resistant to antimalarial drugs emphasize the importance of developing new chemotherapeutic agents. The use of computers for in-silico screening, or
virtual screening, is currently being developed as a method for discovering antimalarial drugs. One of the enzymes that can support the development
of the malaria parasite is the Plasmodium falciparum enoyl-acyl carrier protein reductase (PfENR). Inhibition of these enzymes leads to Type II lipid
biosynthesis inhibition on the parasite.
Methods: This research investigates the use of virtual screening to find PfENR inhibitor candidates. A molecular docking method using GOLD software
and the medicinal plants in Indonesia database will be used. This target has been optimized by the removal of residues and the addition of charge.
Ligand is expected to be an inhibitor of PfENR.
Results: In-silico screening, or virtual screening, found that the top five compounds with the highest GOLD score at trial are kaempferol 3-rhamnosyl(1-3)-rhamnosyl-(1-6)-glucoside;
cyanidin
3,5-di-(6-malonylglucoside);
8-hydroxyapigenin
8-(2’’,
4’’-disulfato
glucuronide);
epigallocatechin
3,5,-diO-gallat;
quercetin
3,4’-dimethyl
ether 7-alpha-L-arabinofuranosyl-(1-6)-glucoside.
They
had GOLD scores
of
94.73, 95.90,
86.46,
85.39,
and
84.40,
respectively.
Conclusions: There are two candidate inhibitor compounds from tea (Camellia sinensis), which have potential for development as an antimalarial
drug, which are kaempferol 3-rhamnosyl-(1-3)-rhamnosyl-(1-6)-glucoside and epigallocatechin 3,5,-di-O-gallate, with a GOLD score of 94.73 and
85.39, respectively.


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About this article

Title

IN-SILICO SCREENING AGAINST ANTIMALARIAL TARGET PLASMODIUM FALCIPARUM ENOYL-ACYL CARRIER PROTEIN REDUCTASE

Date

01-10-2017

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Special Issue October 2017 [PTMDS 2017] Page: 127-129

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

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Authors & Affiliations

BERWI FAZRI PAMUDI
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia
Indonesia


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