IN SILICO SCREENING OF ANTIMALARIAL FROM INDONESIAN MEDICINAL PLANTS DATABASE TO PLASMEPSIN TARGET


Eko Aditya Rifai, Hayun Hayun, Arry Yanuar

Abstract


Objective: Malaria is a disease that impacts millions of people annually. Among the enzymes, plasmepsin is the main enzyme in the plasmodium life cycle that degrades hemoglobin during the erythrocytic phase in the food vacuole. Recently, pharmaceutical industries have been trying to develop therapeutic agents that can cure malaria through the discovery of new plasmepsin inhibitor compounds. One of the developing approaches is the in silico method.

Methods: The chosen in silico screening method in this experiment is a structure-based screening using GOLD software and the Indonesian medicinal plants database.

Results: From ten in silico screening runs, three of the compounds always ranked in the top ten. These three compounds are trimyristin, cyanidin 3,5-di-(6-malonylglucoside), and isoscutellarein 4’-methyl ether 8-(6”-n-butylglucuronide). Another compound that emerged with high frequency is cyanidin 3,5-di-(6-malonylglucoside).

Conclusions: Based on the results obtained from this screening, 11 inhibitor candidates are expected to be developed as antimalarial. These compounds are trimyristin; cyanidin 3,5-di-(6-malonylglucoside); isoscutellarein 4’-methyl ether 8-(6”-n-butylglucuronide); cyanidin 3-(6”-malonylglucoside)-5- glucoside; multifloroside; delphinidin 3-(2-rhamnosyl-6-malonylglucoside); delphinidin 3-(6-malonylglucoside)-3’,5’-di-(6-p-coumaroylglucoside); cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside; kaempferol 3-glucosyl-(1-3)-rhamnosyl-(1-6)-galactoside; sanggenofuran A; and lycopene with a GOLD score range from 78.4647 to 98.2836. Two of them, Asp34 and Asp214, bind with all residues in the catalytic site of plasmepsin.


Keywords


Antimalarial, In silico screening, Indonesian medicinal plants database, Plasmepsin.

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About this article

Title

IN SILICO SCREENING OF ANTIMALARIAL FROM INDONESIAN MEDICINAL PLANTS DATABASE TO PLASMEPSIN TARGET

Keywords

Antimalarial, In silico screening, Indonesian medicinal plants database, Plasmepsin.

DOI

10.22159/ajpcr.2017.v10s5.23115

Date

01-10-2017

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Vol. 10, Special Issue (Oct.), 2017 [PTMDS 2017] Page: 130-133

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

99 Views | 45 Downloads

Authors & Affiliations

Eko Aditya Rifai
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Hayun Hayun
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Arry Yanuar
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia


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