ABSTRAK
Malaria merupakan salah satu penyakit yang menyebabkan korban jutaan jiwasetiap tahun. Plasmepsin adalah enzim utama di antara enzim lain dalam siklushidup plasmodium penyebab malaria yang mendegradasi hemoglobin selama faseeritrosit di dalam vakuola makanan. Dewasa ini, industri farmasi telah berupayauntuk mengembangkan agen terapetik yang dapat menyembuhkan penyakitmalaria melalui penemuan senyawa baru penghambat plasmepsin mengingatadanya penyebaran strain yang resisten terhadap obat antimalaria. Namun, karenabiaya yang tinggi dan waktu yang lama, metode konvensional untuk penemuanobat baru yang dilakukan secara in vivo dan in vitro sulit terealisasikan sehinggapara ilmuwan kemudian beralih kepada metode baru yaitu penapisan in silico.Jenis penapisan in silico yang akan dilakukan dalam penelitian ini adalahpenapisan berbasis struktur dengan menggunakan Basis Data Tanaman ObatIndonesia dan perangkat lunak GOLD. Berdasarkan penapisan ini, didapatkanhasil 11 kandidat senyawa inhibitor yang diharapkan dapat dikembangkan sebagaiobat 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; danLycopene dengan kisaran GOLDScore dari 78,4647 sampai 98,2836. Duakandidat di antaranya berikatan dengan seluruh residu dari sisi katalitikplasmepsin yaitu Asp34 dan Asp214.
ABSTRACT
Malaria is one of diseases that annually emerge millions victim. Among the otherenzymes, plasmepsin is the main enzyme in plasmodium life cycle that degradeshemoglobin during erythrocytic phase in food vacuole. Recently, pharmaceuticalindustries have been trying to develop therapeutic agents that be able to curemalaria through discovery of new plasmepsin inhibitor compounds, regarding tothe spread of drug-resistant strains for antimalarial. However, due to high cost andlong term, conventional methods for discovery of new drugs that were done invivo and in vitro were difficult to be realized so that the scientists then shift to thenew method called in silico screening. The chosen in silico screening method inthis experiment is structure-based screening by using GOLD software andIndonesian Medicinal Plants Database. Based on the obtained results from thisscreening, there are 11 inhibitor candidates which are expected to be developed asantimalarial. 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; andLycopene with GOLDScore range from 78,4647 to 98,2836. Two of them bindwith all residues in catalytic site of plasmepsin which are Asp34 and Asp214. |
