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Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo.

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.

SUBMITTER: Zhong HJ

PROVIDER: S-EPMC3972188 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo.

Zhong Hai-Jing HJ Liu Li-Juan LJ Chong Cheong-Meng CM Lu Lihua L Wang Modi M Chan Daniel Shiu-Hin DS Chan Philip Wai Hong PW Lee Simon Ming-Yuen SM Ma Dik-Lung DL Leung Chung-Hang CH

PloS one 20140401 4

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 deficienc ...[more]

PMID: 24690920

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Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo.

Publications

Discovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivo.

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