Endik Deni Nugroho, Ahmad Misbakhus Sururi, Dwi Anggorowati Rahayu, Reza Ardiansyah, Nia Kurniwawan, Widodo
Marine echinoderms, specifically the sea urchin species Diadema setosum, may hold promise in the medical field as potential sources of antiviral agents for Covid-19. Recent research focused on identifying the compounds within their extracts and their effectiveness as inhibitors for the 3CLpro, RdRp, and ACE2 proteins through in silico modelling. This research begin with extraction and GC-MS analysis to identify the contents of the extract; the identified compounds were analyzed by molecular docking to determine their potential as antivirals. A compound exhibited a favourable Lipinski profile and low toxicity prediction, suggesting its potential as a viable antiviral candidate. The results showed that there was one compound, namely 5 H-Isoindole[1,2-b][3]benzazepine-5-one, 7,8,13,13a-tetrahydro-10-hydroxy-3,4,12-trimethoxy- which has the potential to as an antiviral with the support of druglikeness profile and prediction of its toxicity. While additional research is necessary to comprehend its therapeutic potential fully, the study’s findings showcase the compound’s potency as a promising antiviral agent. © The Author(s), under exclusive licence to Springer Nature Switzerland AG 2024.
Departement of Biology Education, Institut Teknologi & amp; Sains Nahdlatul Ulama Pasuruan, Pasuruan Regency, Warung Dowo, Pohjentrek, East Java, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Surabaya, East Java, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Surabaya, East Java, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, University Brawijaya, Malang, Indonesia
