ArticleInternational journal of molecular sciences2020
A Novel Urease Inhibitor of Ruminal Microbiota Screened through Molecular Docking.
Article in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed, 9 citations in OpenAlex.
- Review
- Network Pharmacology and Molecular Docking Integrated with Molecular Dynamics Simulations Investigate the Pharmacological Mechanism of Yinchenhao Decoction in the Treatment of Non-alcoholic Fatty Liver Disease.Current computer-aided drug design · 2025Article
- Combined effects of feed-grade urea and a urease inhibitor on growth performance, digestibility, blood biochemical indicators, and rumen environment in beef cattle.Frontiers in veterinary science · 2025Article
- Epiberberine: a potential rumen microbial urease inhibitor to reduce ammonia release screened by targeting UreG.Applied microbiology and biotechnology · 2024Article
- Enzymatic mechanism of MlrB for catalyzing linearized microcystins byFrontiers in microbiology · 2024Article
- Characterization and Mechanism of Linearized-Microcystinase Involved in Bacterial Degradation of Microcystins.Frontiers in microbiology · 2021Article
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Authors and funding
6 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Inhibition of the urease activity of ruminal microbiota is not only beneficial for increasing dietary and endogenic urea-N utilization efficiency in ruminants but also might be applicable for the preservation of nitrogen fertilizer in soil and treatment of gastrointestinal and urinary tract infections caused by ureolytic bacteria. To discover urease inhibitors to efficiently target ruminal microbiota, the identified ruminal microbial metagenomic urease gene was used to construct a homology model to virtually screen urease inhibitors from the ChemDiv database by molecular docking. The GMQE and QMEAN values of the homology model were 0.85 and -0.37, respectively, indicating a good model quality. The inhibition effect of the screened urease inhibitor for ruminal urea degradation was assessed by ruminal microbial fermentation in vitro. The toxic effect of the candidate inhibitor was performed using gut Caco-2 cells in vitro. The results showed that compound 3-[1-[(aminocarbonyl)amino]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl] propanoic acid (ChemDiv_ID: 6238-0047, IC
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