Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo.
basic_science · Level V
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- Record sourced from PubMed, PMID 24690920.
- Also identified by DOI 10.1371/journal.pone.0092905 and PMC identifier 3972188.
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Abstract
In this study, we applied structure-based virtual screening techniques to identify natural product or natural product-like inhibitors of iNOS. The iNOS inhibitory activity of the hit compounds was characterized using cellular assays and an in vivo zebrafish larvae model. The natural product-like compound 1 inhibited NO production in LPS-stimulated Raw264.7 macrophages, without exerting cytotoxic effects on the cells. Significantly, compound 1 was able to reverse MPTP-induced locomotion deficiency and neurotoxicity in an in vivo zebrafish larval model. Hence, compound 1 could be considered as a scaffold for the further development of iNOS inhibitors for potential anti-inflammatory or anti-neurodegenerative applications.
Medical subject headings
- Biological Products
- Drug Discovery
- Enzyme Inhibitors
- Molecular Docking Simulation
- Neuroprotective Agents
- Nitric Oxide Synthase Type II