Composition of volatile bioactive compounds of sea cucumber (Holothuria atra) extract and their bioactivity as antivirals for SARS-CoV-2 COVID-19

Abstract

COVID-19 is a pandemic that has an impact on all aspects of life. This pandemic is caused by the SARS-CoV-2 virus, which has a fast pathogenesis cycle, so alternatives are needed, such as incredibly natural and marine ingredients that can be used as drug candidates. Holothuria atra is an animal candidate that has great potential. This study aims to describe the potential of H. atra as an antiviral candidate for COVID-19 through in silico analysis. The research began with extracts and GC-MS tests to identify the compound content in H. atra. Molecular docking analysis, Lipinski druglikeness, and toxicity predictions were carried out to determine the potential of the compound as an antiviral candidate for COVID-19 through inhibition of RNA-dependent RNA-polymerase protein (RdRp) and human Angiotensin Converting Enzym-2 (hACE2). The research results showed that there were five volatile compounds in the methanol extract of H. atra with one potential compound as a COVID-19 antiviral, namely Cyclohexanone, 2,6-bis((4-methoxyphenyl)methylene)-. Lipinski's druglikeness analysis and toxicity prediction provide support as a COVID-19 antiviral. Further research, such as in vitro and in vivo testing, can be carried out to give an overview of living cells and its activity as an antiviral for COVID-19.