Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 1401-1407 |
| Number of pages | 7 |
| Journal | Thalassas |
| Volume | 40 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - Sept 2024 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 3 Good Health and Well-being
Keywords
- 3CL
- ACE2
- Covid-19
- Diadema setosum
- Inhibitor
- RdRp
- Sea urchin
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