Menara Perkebunan
Vol. 92 No. 1 (2024): 92(1), 2024

In silico study: molecular docking of SARS-Cov-2 endoribonuclease on active compounds of Gmelina arborea Roxb. bark

Shobiroh Nuur'Alimah (IPB University)
Agnia Nurul Jannati (IPB University)
Laksmi Ambarsari (IPB University)
Syamsul Falah (IPB University)



Article Info

Publish Date
30 Apr 2024

Abstract

Infection by SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) triggers COVID-19 disease of the respiratory tract similar to pneumonia. The virus encodes four structural proteins and 16 non-structural proteins (nsp), one of which includes nsp15 or endoribonuclease (NendoU). NendoU plays an important role in viral replication and transcription and reduces the stimulation of immune cell responses. Active compounds in Gmelina arborea Roxb. bark have antioxidant properties that can inhibit the NendoU activity of SARS-CoV-2. This study aims to analyze the potential of compounds from Gmelina arborea Roxb. bark in inhibiting SARS-CoV-2 NendoU within in silico using the YASARA structure application. Balnophonin is the best test ligand based on binding ΔG value, dissociation constant (Kd), prediction of physicochemical characteristics, pharmacokinetics, and toxicity. Therefore, balanophonin can be developed as an effective alternative drug to inhibit SARS CoV-2 NendoU.

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Journal Info

Abbrev

mpjurnal

Publisher

Subject

Agriculture, Biological Sciences & Forestry

Description

Menara Perkebunan as a communication medium for research in estate crops published articles covering original research result on the pre- and post-harvest biotechnology of estate crops. The contents of the articles should be directed for solving the problems of production and/or processing of estate ...