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Metabolic Profile, Biotransformation, Docking Studies and Molecular Dynamics Simulations of Bioactive Compounds Secreted by CG3 Strain

  1. Author:
    Messaoudi, Omar [ORCID]
    Sudarman, Enge
    Patel,Chiragkumar [ORCID]
    Bendahou, Mourad
    Wink, Joachim [ORCID]

  2. Author Address

    Department of Biology, Faculty of Science, University of Amar Telidji, Laghouat 03000, Algeria., Microbial Strain Collection, Helmholtz Centre for Infection Research GmbH (HZI), Inhoffenstrasse 7, 38124 Braunschweig, Germany., Laboratory of Applied Microbiology in Food and Environment, Abou Bekr Belka 239;d University, Tlemcen 13000, Algeria., Department Microbial Drugs, Helmholtz Centre for Infection Research GmbH (HZI), Inhoffenstrasse 7, 38124 Braunschweig, Germany., German Centre for Infection Research Association (DZIF), Partner Site Hannover-Braunschweig, Inhoffenstrasse 7, 38124 Braunschweig, Germany., Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, National Institute of Health, Frederick, MD 21702, USA.,
    1. Year: 2022
    2. Date: May 13
    3. Epub Date: 2022 05 13
  2. Journal: Antibiotics (Basel, Switzerland)
    1. 11
    2. 5
  4. Type of Article: Article
  5. Article Number: 657
  1. Abstract:

    Actinobacteria isolated from untapped environments and exposed to extreme conditions such as saltpans are a promising source of novel bioactive compounds. These microorganisms can provide new molecules through either the biosynthetic pathway or the biotransformation of organic molecules. In the present study, we performed a chemical metabolic screening of secondary metabolites secreted by the new strain CG3, which was isolated from a saltpan located in the Sahara of Algeria, via high-performance liquid chromatography coupled with high-resolution mass spectrometry (HPLC-ESI-HRMS). The results indicated that this strain produced five new polyene macrolactams, kenalactams A-E, along with two known compounds, mitomycin C and 6?-hydroxy-4,2 39;,3 39;,4? tetramethoxy-p-terphenyl. Furthermore, the CG3 isolate could have excellent properties for converting the aglycone isoflavone glycitein to the compounds 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (50) and 6,7-dimethoxy-3-phenylchromen-4-one (54), and the isoflavone genistein can be converted to 5,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (52). Docking studies and molecular dynamics simulations indicated that these three isoflavones, generated via biotransformation, are potent inhibitors of the target protein aromatase (CYP19A1); consequently, they can be used to prevent breast cancer risk in postmenopausal women.

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External Sources

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  2. DOI: 10.3390/antibiotics11050657
  3. PMID: 35625301
  4. PMCID: PMC9137728
  5. PII : antibiotics11050657

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