ANALISIS POTENSI SENYAWA QUERCETIN DAN TURUNANNYA SEBAGAI INHIBITOR VIRUS HENDRA (HeV)

Abstract

ABSTRACT  

Hendra virus (HeV) is a single strain ribonucleic acid (RNA) virus in the Paramyxiviridae family of the genus Henipavirus. The virus can cause high morbidity and mortality in mammal species and one of them is humans. The percentage of deaths due to infection with HeV reaches 50 – 100% in humans, making HeV called the deadliest virus of all time. This study aims to determine the inhibitory potential of quercetin and its derivatives on the activity of Hendra virus (HeV) 6BK6 protein with its comparator N-Acetyl-D-[1-13C] Glucosamine. This research was carried out using the molecular docking method in order to obtain information related to binding affinity values, inhibition constants, and amino acid residues in the ligand-receptor hydrogen bonds. It was found that the compound ID 5878729 quercetin 3-O-xyloside had the lowest binding affinity among the other compounds, namely -6.92 kcal/mol with an inhibition constant of 8.44 micro Molar. In addition, there are four types of amino acid residues in the ligand-receptor hydrogen bonds including ASP304 (1,90 ), SER301 (2,47 ), ARG191 (3,18 ), and MET188 (4.34 ). In this case it can be concluded that the compound quercetin 3-O-xyloside has been shown to have the potential to inhibit the activity of the HeV 6BK6 protein.

Keywords: Virus Hendra; Protein 6BK6; Quercetin 3-O-xyloside; inhibitory potential

ABSTRAK

Virus Hendra (HeV) termasuk virus asam ribonukleat (RNA) single strain dalam famili Paramyxiviridae dari genus Henipavirus. Virus tersebut dapat menyebabkan morbiditas dan mortalitas yang tinggi terhadap spesies mamalia dan salah satunya yaitu manusia. Persentase kematian akibat terjangkit HeV mencapai 50 – 100% pada manusia sehingga membuat HeV disebut sebagai virus paling mematikan sepanjang masa. Penelitian ini bertujuan untuk mengetahui potensi inhibisi dari senyawa quercetin dan turunannya terhadap aktivitas protein 6BK6 virus Hendra (HeV) dengan senyawa pembandingnya N-Acetyl-D-[1-13C] Glucosamine. Penelitian ini dilakukan dengan metode molecular docking agar diperoleh informasi terkait nilai binding affinity, konstanta inhibisi, dan residu asam amino dalam ikatan hidrogen ligan-reseptor. Diperoleh bahwa ID senyawa 5878729 quercetin 3-O-xyloside memiliki binding affinity paling rendah diantara senyawa lainnya yaitu sebesar -6.92 kcal/mol dengan konstanta inhibisi 8.44 mikro Molar. Selain itu, terdapat empat jenis residu asam amino dalam ikatan hidrogen ligan-reseptor meliputi ASP304 (1,90 ), SER301 (2,47 ), ARG191 (3,18 ), dan MET188 (4.34 ). Dalam hal ini dapat disimpulkan bahwa senyawa quercetin 3-O-xyloside terbukti berpotensi dalam menghambat aktivitas protein HeV 6BK6.

Kata Kunci: Virus Hendra; Protein 6BK6; Quercetin 3-O-xyloside; potensi inhibisi