Phenolic compounds of Zanthoxylum armatum DC as potential inhibitors of urease and SARS-CoV2 using molecular docking approach and with simulation study.
Researchers evaluated the anti-urease effects of compounds found in the leaves of Datura ceratocaula. Three phenolic compounds were identified and found to interact significantly with both urease and SARS-CoV2 vital proteins. Chlorogenic acid was the most effective in interacting with both urease and the coronavirus main protease, while gallic acid was effective in interacting with five spike proteins of SARS-CoV2. The compounds also passed several tests for drug-likeness and could potentially be used as antagonists of urease.
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- Nat Prod Res.
- PubMed:
- 35968637