Identifikasi Aktivitas Biologis, Prediksi Toksisitas, dan Molecular Docking Senyawa Jubanine dari Tanaman Bidara Arab sebagai Kandidat Antivirus SARS-CoV-2

Coronavirus disease (COVID-19) is a of the respiratory tract caused by coronavirus (SARS-CoV-2). Jubanine A, jubanine B, C, G, and H compounds in arabian bidara plant (Ziziphus spina-christi L.) are known to treat viral bacterial infections. The purpose this study was test affinity non-structural protein 15 (Nsp15) receptor. This research carried out identifying physicochemical properties using swissADME server. After that, geometry optimization performed Quantum ESPRESSO 6.6 software, then macromolecule preparation accomplished BIOVIA Discovery Studio 2020 software. Furthermore, method validation molecular docking simulations were demonstrated MGLTools 1.5.6 software with AutoDock Tools 4.2. Then analysis results Finally, toxicity compound predicted Toxtree 3.1.0 Based on free binding energy (∆G), has best among other five lowest value −6.51 kcal/mol.