Malaria merupakan salah satu penyakit yang menyebabkan korban jutaan jiwa
setiap tahun. Plasmepsin adalah enzim utama di antara enzim lain dalam siklus
hidup plasmodium penyebab malaria yang mendegradasi hemoglobin selama fase
eritrosit di dalam vakuola makanan. Dewasa ini, industri farmasi telah berupaya
untuk mengembangkan agen terapetik yang dapat menyembuhkan penyakit
malaria melalui penemuan senyawa baru penghambat plasmepsin mengingat
adanya penyebaran strain yang resisten terhadap obat antimalaria. Namun, karena
biaya yang tinggi dan waktu yang lama, metode konvensional untuk penemuan
obat baru yang dilakukan secara in vivo dan in vitro sulit terealisasikan sehingga
para ilmuwan kemudian beralih kepada metode baru yaitu penapisan in silico.
Jenis penapisan in silico yang akan dilakukan dalam penelitian ini adalah
penapisan berbasis struktur dengan menggunakan Basis Data Tanaman Obat
Indonesia dan perangkat lunak GOLD. Berdasarkan penapisan ini, didapatkan
hasil 11 kandidat senyawa inhibitor yang diharapkan dapat dikembangkan sebagai
obat antimalaria. Senyawa tersebut yaitu 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; dan
Lycopene dengan kisaran GOLDScore dari 78,4647 sampai 98,2836. Dua
kandidat di antaranya berikatan dengan seluruh residu dari sisi katalitik
plasmepsin yaitu Asp34 dan Asp214.
AbstractMalaria is one of diseases that annually emerge millions victim. Among the other
enzymes, plasmepsin is the main enzyme in plasmodium life cycle that degrades
hemoglobin during erythrocytic phase in food vacuole. Recently, pharmaceutical
industries have been trying to develop therapeutic agents that be able to cure
malaria through discovery of new plasmepsin inhibitor compounds, regarding to
the spread of drug-resistant strains for antimalarial. However, due to high cost and
long term, conventional methods for discovery of new drugs that were done in
vivo and in vitro were difficult to be realized so that the scientists then shift to the
new method called in silico screening. The chosen in silico screening method in
this experiment is structure-based screening by using GOLD software and
Indonesian Medicinal Plants Database. Based on the obtained results from this
screening, there are 11 inhibitor candidates which 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 GOLDScore range from 78,4647 to 98,2836. Two of them bind
with all residues in catalytic site of plasmepsin which are Asp34 and Asp214.
