Applied Microbiology and Biotechnology | VOL. 106
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Antimicrobial metabolite of Cordyceps tenuipes targeting MurE ligase and histidine kinase via in silico study

Publication Date Sep 16, 2022

Abstract

Cordyceps spp. are widely healthy foods around the world with several traditional uses and bio-functionalities. The chemical characterization of ethyl acetate-soluble extract of the entomopathogenic fungus Cordyceps tenuipes NBRC 111,630 afforded two new metabolites with 1,6-dioxaspiro[4.4]nonane motif, tenuipesone A (1) and tenuipesone B (2), along with four well-known metabolites (3-6). The elucidation of the chemical structures was carried out via extensive spectroscopic experiments including FTIR, HRMS, 1D-NMR, and 2D-NMR. Theprobable biosynthetic pathway of 1 and 2 was hypothesized. From the six isolates, beauvericin (6) exhibited antimicrobial activity against Bacillus subtilis and Staphylococcus aureus with respective MIC of 6.25 and 12.5μM. Docking results exhibited that beauvericin (6) has significant binding affinities against MurE and HK proteins with ΔG =  - 8.021 and - 8.585kcal/mol, respectively. KEY POINTS: • Six compounds, including two new, were isolated from the entomopathogenic fungus Cordyceps tenuipes. • Plausible biosynthetic pathway of compounds 1, 2, 4, and 5 was hypothesized. • Beauvericin (6) exhibited significant antimicrobial activity against Bacillus subtilis and Staphylococcus aureus alongside binding affinities against MurE and HK proteins in MOE study.

Concepts

Bacillus Subtilis KEY POINTS Antimicrobial Activity Binding Affinities Elucidation Of Structures Significant Activity Entomopathogenic Fungus Cordyceps Ethyl Acetate-soluble Extract Fungus Cordyceps Respective MIC

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