Skrining Turunan Flavonoid Sebagai Kandidat Inhibitor Protease nsP2 dari Virus Chikungunya Menggunakan Molecular Docking

Abstract

This study were aims to obtain flavonoid derivative compounds that have the potential as nsP2 protease
inhibitors from the chikungunya virus (CHIKV) by molecular docking method and to examined the
interaction of flavonoids derived from screening results. The results showed that after going through a
molecular docking process using PyRx 0.8 software, flavonoid derivative compounds were potential
inhibitors of six flavonoid groups, namely hesperidin, rhoifolin, myricetin, genistin, peonidin, phlorizin
which had a root means square deviation (RMSD) value of 0Å with binding affinity values respectively -9.4;
-8,5; -8,1; -7.9; -7.6; and -6.9 kcal/mol. Molecular visualization results show the occurrence of hydrophobic
interactions and the formation of hydrogen bonds.