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Title: Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo
Authors: Zhong, Hai-Jing
Liu, Li-Juan
Chong, Cheong-Meng
Lu, Lihua
Wang, Modi
Chan, Daniel Shiu-Hin
Chan, Philip Wai Hong
Lee, Simon Ming-Yuen
Ma, Dik-Lung
Leung, Chung-Hang
Keywords: DRNTU::Science
Issue Date: 2014
Source: Zhong, H. J., Liu, L. J., Chong, C. M., Lu, L., Wang, M., Chan, D. S. H., et al. (2014). Discovery of a Natural Product-Like iNOS Inhibitor by Molecular Docking with Potential Neuroprotective Effects In Vivo. PLoS ONE, 9(4), e92905-.
Series/Report no.: PLoS ONE
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.
ISSN: 1932-6203
DOI: 10.1371/journal.pone.0092905
Schools: School of Physical and Mathematical Sciences 
Rights: © 2014 Zhong et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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