Anti-Dengue Screening on Several Vietnamese Medicinal Plants: Experimental Evidences and Computational Analyses.

Autor: Thao TTP; Institute of Chemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam.; Graduate University of Science and Technology, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Co NQ; Institute of Biotechnology, Hue University, Hue City, 530000, Vietnam., Anh HN; Institute of Biochemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Luu NT; Institute of Chemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Hau VTB; National Institute of Hygiene and Epidemiology, 1 Yersin street, Hai Ba Trung, Hanoi, 10000, Vietnam., Thuy NTT; National Institute of Hygiene and Epidemiology, 1 Yersin street, Hai Ba Trung, Hanoi, 10000, Vietnam., Chien TV; Institute of Chemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam.; Graduate University of Science and Technology, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Anh NT; Institute of Chemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Bui TQ; Department of Chemistry, University of Sciences, Hue University, Hue, 530000, Vietnam., Cuong TD; Phenikaa University Nano Institute (PHENA), Phenikaa University, Yen Nghia, Ha Dong District, Hanoi, 12116, Vietnam., Quy PT; Department of Natural Sciences & Technology, Tay Nguyen University, Buon Ma Thuot, 630000, Vietnam., Triet NT; Faculty of Traditional Medicine, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, 700000, Vietnam., Sung TV; Institute of Chemistry, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam.; Graduate University of Science and Technology, Vietnam Academy of Science and Technology, 18-Hoang Quoc Viet Road, Cau Giay, Hanoi, 10000, Vietnam., Nhung NTA; Department of Chemistry, University of Sciences, Hue University, Hue, 530000, Vietnam.
Jazyk: angličtina
Zdroj: Chemistry & biodiversity [Chem Biodivers] 2022 Jul; Vol. 19 (7), pp. e202101026. Date of Electronic Publication: 2022 Jun 27.
DOI: 10.1002/cbdv.202101026
Abstrakt: Worldwide, medicinal plants have been known for economic and geographical advantages, thus possibly holding potentiality against dengue hemorrhagic fever. The methanol/water extracts from different parts of fourteen Vietnam-based plant species were subjected for experimental screening on anti-dengue activity using baby hamster kidney cells (BHK21) and plaque reduction neutralisation test (PRNT). Firstly, the methanol/water extracts were tested against serotype dengue virus DENV-1. Seven out from nineteen extracts show the PRNT 50 values less than 31.25 μg/mL. Four of the above extracts namely from Euphorbia hirta, Cordyline terminalis, Carica papaya, and Elaeagnus latifolia were chosen for testing against the serotype DENV-2. All of them exhibit good activity with the PRNT 50 values less than 31.25 μg/ml, which were further fractionated to obtain hexane, ethyl acetate and butanol fractions. Anti-dengue virus activity of the fractions against four serotypes DENV-1, -2, -3 and -4 was evaluated. As results, the ethyl acetate fraction of Elaeagnus latifolia is highly active against all four serotype viruses. The structural formulae of its nine constituents were input for molecular docking simulation. The docking-based order for static inhibitability is 6-3L6P>7-3L6P>9-3L6P>2-3L6P>3-3L6P≈5-3L6P>9-3L6P>1-3L6P>8-3L6P; QSARIS-based analysis reveals the biocompatibility of the most promising ligands (4-7); ADMET-based analysis expects their pharmacological suitability. Exceptional finding on 2-3LKW hydrophilic interaction at Lys43 (with the associated Gibbs free energy of -10.3 kcal mol -1 ) raises an open explanation for inhibitory effects. The results encourage further investigations for more in-depth mechanisms and drug development, such as in vitro enzyme assays or in vitro clinical trials with natural substances from E. latifolia.
(© 2022 Wiley-VHCA AG, Zurich, Switzerland.)
Databáze: MEDLINE
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