Screening for Streptococcus pyogenes antibacterial and Candida albicans antifungal bioactivities of organic compounds in
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ORIGINAL PAPER
Screening for Streptococcus pyogenes antibacterial and Candida albicans antifungal bioactivities of organic compounds in natural essential oils of Piper betle L., Cleistocalyx operculatus L. and Ageratum conyzoides L. Bui Thi Phuong Thuy1 · Le Trung Hieu2 · Tran Thi Ai My2 · Nguyen Thi Thanh Hai2 · Huynh Thi Phuong Loan2 · Nguyen Thi Thu Thuy3 · Nguyen Thanh Triet4 · Tran Thi Van Anh5 · Nguyen Thi Xuan Dieu5 · Phan Tu Quy6 · Nguyen Van Trung7 · Duong Tuan Quang8 · Lam K. Huynh9 · Nguyen Thi Ai Nhung1 Received: 13 April 2020 / Accepted: 22 October 2020 © Institute of Chemistry, Slovak Academy of Sciences 2020
Abstract Chemical composition and bioactivities including bacterial and fungal resistance of the essential oils extracted from leaves of Piper betle L. (T) and Cleistocalyx operculatus L. (V) and aerial parts of Ageratum conyzoides L. (H) were investigated. The components presenting in the essential oils of the natural sources were analysized by a gas chromatography–mass spectrometry. Molecular docking simulation was utilised to support an antimicrobial mechanism of the essential oil compounds on Candida albicans fungus and Streptococcus pyogenes bacteria. This was based on the inhibition of the extracted compounds onto the microbial proteins, i.e. 4ESW and P0C0C7, respectively. There are 32 compounds identified in total in the three essential oils. The most effective inhibitors are the following: (i) chavicol acetate (T3), eugenol acetate (T11) and eugenol (T4) found in Piper betle L.; (ii) precocene II (H10) and precocene I (H6) found in Ageratum conyzoides L.; and (iii) caryophyllene oxide (V15) and cis-Lanceol (V19) found in Cleistocalyx operculatus L.. The overall antifungal and antibacterial capability of the investigated essential oils given indirect justification via their average inhabitability towards the two proteins accords with the order Piper betle L. Ageratum conyzoides L. Cleistocalyx operculatus L.. The results suggest these as promising natural sources for antimicrobial remedies. Keywords Piper betle L. · Ageratum conyzoides L. · Cleistocalyx operculatus L. · Antibacterial · Antifungal · Molecular docking
Electronic supplementary material The online version of this article (https://doi.org/10.1007/s11696-020-01404-x) contains supplementary material, which is available to authorized users. * Phan Tu Quy quy.phantu@phenikaa‑uni.edu.vn
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Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City 700000, Vietnam
* Nguyen Thi Ai Nhung [email protected]
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Faculty of Electrical and Electronic Engineering, PHENIKAA University, Hanoi 12116, Vietnam
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Institute of Transport and Environment Research, HCMC University of Transport, Ho Chi Minh City 700000, Vietnam
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Department of Chemistry, University of Education, Hue University, Hue City 530000, Vietnam
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Department of Chemical Engineering, International University, Ho Chi Minh City 700000, Vietnam
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Faculty of Basic Sciences, Van Lang University, Ho Chi Minh
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