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

Yahmin Yahmin, Khoirul Faqih, Suharti Suharti
2019 JC-T (Journal Cis-Trans): Jurnal Kimia dan Terapannya  
Abstrak Penelitian ini bertujuan mendapatkan senyawa turunan flavonoid yang berpotensi sebagai inhibitor protease nsP2 dari virus chikungunya (CHIKV) dengan metode molecular docking serta mengkaji interaksi senyawa turunan flavonoid hasil skrining. Hasil penelitian menunjukkan bahwa setelah melalui proses molecular docking menggunakan software PyRx 0.8, senyawa turunan flavonoid yang berpotensi sebagai inhibitor dari enam kelompok flavonoid, yaitu hesperidin, rhoifolin, myricetin, genistin,
more » ... idin, phlorizin yang mempunyai nilai root means square deviation (RMSD) senilai 0 dengan nilai binding affinity berturut-turut -9,4; -8,5; -8,1; -7,9; -7,6; dan -6,9 kkal/mol. Hasil visualisasi molekul secara umum menunjukkan terjadinya interaksi hidrofobik dan terbentuknya ikatan hidrogen. 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
doi:10.17977/um0260v3i12019p034 fatcat:iejdlspljfbabmfs6lor3fvkpe