Inhibition of rice-blast fungus Magnaporthe oryzae by Piper betle extracts: in vitro evidence and in silico prediction

Nguyen Thi Thanh Hai; Thanh Q. Bui; Tran Thi Ai My; Nguyen Duc Vu Quyen; Phan Tu Quy; Nguyen Tien Long; Nguyen Vinh Phu; Nguyen Thi Thu Thuy; Nguyen Thi Ai Nhung

doi:10.51316/jca.2021.094

Authors

Nguyen Thi Thanh Hai Department of Chemistry, University of Sciences, Hue University, Hue 530000, Vietnam Author
Thanh Q. Bui Department of Chemistry, University of Sciences, Hue University, Hue 530000, Vietnam Author
Tran Thi Ai My Department of Chemistry, University of Sciences, Hue University, Hue 530000, Vietnam Author
Nguyen Duc Vu Quyen Department of Chemistry, University of Sciences, Hue University, Hue 530000, Vietnam Author
Phan Tu Quy Department of Natural Sciences & Technology, Tay Nguyen University, Buon Ma Thuot 630000, Vietnam Author
Nguyen Tien Long Institute of Biotechnology, Hue University, Hue 530000, Vietnam Author
Nguyen Vinh Phu Faculty of Basic Sciences, University of Medicine and Pharmacy, Hue University, Hue 530000, Vietnam Author
Nguyen Thi Thu Thuy Faculty of Agronomy, University of Agriculture and Forestry, Hue University, Hue 530000, Vietnam Author
Nguyen Thi Ai Nhung Department of Chemistry, University of Sciences, Hue University, Hue 530000, Vietnam Author

DOI:

https://doi.org/10.51316/jca.2021.094

Keywords:

Piper betle extract, Magnaporthe oryzae enzyme 6JBR, bio-assays, docking technique

Abstract

Developing new antimicrobial agents towards Magnaporthe oryzae based on Piper betle extracts is practicable if an inhibition mechanism is known. The information for the retrieval was collected from experimental investigations and computational researches on the inhibitability of the plant extract compositions (P1 – P14) towards the fungus trehalose-6-phosphate synthase (PDB-6JBR). Gas chromatography-mass spectrometry characterisation determines 4-Chromanol (P5), 1’-Hydroxychavicol acetate (P6), Eugenol acetate (P7), and 4-Allyl-1,2-diacetoxybenzene (P8) making up the majority of Piper betle extract composition. Bio-assays provide experimental evidence of a total antifungal effect towards M. oryzae. Docking-based simulation confirms the significant static stability of P5-6JBR, P6-6JBR, P7-6JBR, and P8-6JBR. QSARIS analysis exceptionalises bio-compatibility of P5, P6, P7, and P8. The results prove the antifungal potentiality of Piper betle extracts and suggest trehalose-6-phosphate synthase as a promising target for M. oryzae inhibition.

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