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All Journal JC-T (Journal Cis-Trans) : Jurnal Kimia dan Terapannya
Khoirul Faqih
Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Negeri Malang, Indonesia.
Biochemistry, Genetics & Molecular Biology

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Skrining Turunan Flavonoid Sebagai Kandidat Inhibitor Protease nsP2 dari Virus Chikungunya Menggunakan Molecular Docking Khoirul Faqih; Yahmin Yahmin; Suharti Suharti
JC-T (Journal Cis-Trans) : Jurnal Kimia dan Terapannya Vol. 3 No. 1 (2019)
Publisher : Universitas Negeri Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17977/um0260v3i12019p034

Abstract

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.
Co-Authors Suharti Suharti Yahmin Yahmin