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

Hai Jing Zhong, Li Juan Liu, Cheong Meng Chong, Lihua Lu, Modi Wang, Daniel Shiu Hin Chan, Philip Wai Hong Chan, Simon Ming Yuen Lee, Edmond Dik Lung MA, Chung Hang Leung

Research output: Contribution to journalArticlepeer-review

27 Citations (Scopus)

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.

Original languageEnglish
Article numbere92905
JournalPLoS ONE
Volume9
Issue number4
DOIs
Publication statusPublished - 1 Apr 2014

Scopus Subject Areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Agricultural and Biological Sciences(all)
  • General

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