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A novel diterpene agent isolated from Microbispora hainanensis strain CSR-4 and its in vitro and in silico inhibition effects on acetylcholine esterase enzyme
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Document Title
A novel diterpene agent isolated from Microbispora hainanensis strain CSR-4 and its in vitro and in silico inhibition effects on acetylcholine esterase enzyme
Author
Thawai C.,Bunbamrung N.,Pittayakhajonwut P.,Chongruchiroj S.,Pratuangdejkul J.,He Y.-W.,Tadtong S.,Sareedenchai V.,Prombutara P.,Qian Y.
Name from Authors Collection
Scopus Author ID
56300676200
Scopus Author ID
7801594916
Affiliations
Department of Biology, Faculty of Science, King Mongkut’s Institute of Technology Ladkrabang, Bangkok, 10520, Thailand; Actinobacterial Research Unit, Faculty of Science, King Mongkut’s Institute of Technology Ladkrabang, Bangkok, 10520, Thailand; Center of Excellence in Applied Biosciences, King Mongkut’s Institute of Technology Ladkrabang, Bangkok, 10520, Thailand; National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency (NSTDA), Thailand Science Park, Phaholyothin Road, Klong Luang, Pathum Thani 12120, Thailand; Department of Microbiology, Faculty of Pharmacy, Mahidol University, Phayathai, Bangkok, 10400, Thailand; State Key Laboratory of Microbial Metabolism, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, 200240, China; Department of Pharmacognosy, Faculty of Pharmacy, Srinakharinwirot University, Ongkarak, Nakhon nayok 26120, Thailand; Omics Sciences and Bioinformatics Center, Faculty of Science, Chulalongkorn University, 254 Payathai Road, Patumwan, Bangkok, 10330, Thailand; Department of Life Science and Engineering, Harbin Institute of Technology, Harbin, 150001, China
Type
Article
Source Title
Scientific Reports
ISSN
20452322
Year
2020
Volume
10
Issue
1
Open Access
All Open Access, Gold, Green
Publisher
Nature Research
DOI
10.1038/s41598-020-68009-y
Abstract
An actinomycete strain CSR-4 was isolated from the rhizosphere soil of Zingiber montanum. Taxonomic characterization revealed strain CSR-4 was a member of the genus Microbispora. Whole-genome sequence analysis exhibited the highest average nucleotide identity (ANI) value (95.34%) and digital DNA–DNA hybridization (DDH) value (74.7%) between strain CSR-4 and the closest relative M. hainanensis DSM 45428T, which was in line with the assignment to same species. In addition, a new diterpene compound, 2α-hydroxy-8(14), 15-pimaradien-17, 18-dioic acid, and nine known compounds were isolated from the ethyl acetate crude extract of fermentation broth. Interestingly, a new diterpene displayed the suppressive effect on the recombinant human acetylcholinesterase (rhAChE) enzymes (IC50 96.87 ± 2.31 μg/ml). In silico studies based on molecular docking and molecular dynamics (MD) simulations were performed to predict a binding mode of the new compound into the binding pocket of the rhAChE enzyme and revealed that some amino acids in the peripheral anions site (PAS), anionic subsite, oxyanion site and catalytic active site (CAS) of the rhAChE have interacted with the compound. Therefore, our new compound could be proposed as a potential active human AChE inhibitor. Moreover, the new compound can protect significantly the neuron cells (% neuron viability = 88.56 ± 5.19%) from oxidative stress induced by serum deprivation method at 1 ng/ml without both neurotoxicities on murine P19-derived neuron cells and cytotoxicity against Vero cells. © 2020, The Author(s).
Industrial Classification
Knowledge Taxonomy Level 1
Knowledge Taxonomy Level 2
Knowledge Taxonomy Level 3
License
CC BY
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Publisher
Publication Source
Scopus