Bioactive compounds derived from the marine-derived fungus MCCC3A00951 and their influenza neuraminidase inhibition activity in vitro and in silico

Abstract

Penicillium polonicum MCCC3A00951 is a fungus with influenza neuraminidase (NA) inhibition activity derived from a sediment of the mangrove forest of Zhangjiangkou in Fujian province, China. Chemical investigation on an ethyl acetate extract of its fermentation led to the isolation of a new compound, 7-hydroxy-3,10-dehydrocyclopeptine (1), and 13 known compounds (2–14). The new compound was comprehensively characterised by high-resolution electrospray ionisation-mass spectrometry, and 1D, 2D nuclear magnetic resonance (NMR) spectra. The anti-influenza NA assay was performed to evaluate the potential biological activity. Surprisingly, Cyclopenin (2) showed potent influenza NA inhibition with an IC₅₀ value of 5.02 μM. Besides, molecular docking simulation was performed to investigate the binding model of cyclopenin (2) with influenza NA. Consequently, cyclopenin (2) could be further optimised to be a potential anti-influenza NA candidate.

Graphical Abstract

Keywords:

• Anti-influenza neuraminidase activity
• cyclopenin
• mangrove fungus
• molecular docking
• Penicillium polonicum MCCC3A00951

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This research was funded by National Natural Science Foundation of China (grant number 81773600). This project was also sponsored by the COMRA Project of China (DY135-B2-08), Xiamen Ocean Economic Innovation and Development Demonstration Project (16PZP001SF16) and the Open Funding of State Key Laboratory of Respiratory Disease.