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

Khoirul Faqih (Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Negeri Malang, Indonesia.)
Yahmin Yahmin (Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Negeri Malang, Indonesia.)
Suharti Suharti (Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Negeri Malang, Indonesia.)

JC-T (Journal Cis-Trans) : Jurnal Kimia dan Terapannya
Vol. 3 No. 1 (2019)

This study were aims to obtain flavonoid derivative compounds that have the potential as nsP2 proteaseinhibitors from the chikungunya virus (CHIKV) by molecular docking method and to examined theinteraction of flavonoids derived from screening results. The results showed that after going through amolecular docking process using PyRx 0.8 software, flavonoid derivative compounds were potentialinhibitors of six flavonoid groups, namely hesperidin, rhoifolin, myricetin, genistin, peonidin, phlorizinwhich 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 hydrophobicinteractions and the formation of hydrogen bonds.