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


EKO ADITYA RIFAI

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)-5glucoside;
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.


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About this article

Title

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

Date

01-10-2017

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Special Issue October 2017 [PTMDS 2017] Page: 130-133

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

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Authors & Affiliations

EKO ADITYA RIFAI
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia


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