GC–MS and ADME profile analysis of Carcinoscorpius rotundicaudabioactive compounds and their potential as COVID-19 antiviral

Autor: Sururi, Ahmad Misbakhus, Rahayu, Dwi Anggorowati, Rohma, Martina Kurnia, Faizah, Maftukhatul, Vebianawati, Elsa Aulia, Savita, Mia
Zdroj: Future Journal of Pharmaceutical Sciences; December 2023, Vol. 9 Issue: 1
Abstrakt: Background: Carcinoscorpius rotundicaudais a species of horseshoe crab that is rarely studied. This animal is often used as part of the blood as a medical sterilization material. This study aims to identify the content of bioactive compounds and their bioactivity as an antiviral for COVID-19. The stages of this research include extraction, GC–MS analysis, molecular docking analysis, and ADME analysis. Results: The results showed that in the ethyl acetate extract of the meat, there were 13 bioactive compounds with dominant compound which is propanoic acid (32.15%). Based on molecular docking, one potential compound was found as an antiviral for COVID-19 ACE2, 3CLpro, and RdRp inhibitor, namely 2-methyl-5-(4′-methyl phenyl)sulfonyl-4-nitroimidazole. The druglikeness and ADME compound profile shows support as an excellent oral drug compound. Conclusions: Carcinoscorpius rotundicaudahas potential as an inhibitor of ACE2, RdRp, and 3CLproreceptor as an anti-SARS-CoV-2. Further research, such as in vitro and in vivo, is still needed to develop its potential as a COVID-19 antiviral.
Databáze: Supplemental Index