| Autor: |
Hai, Nguyen T. T., Bui, Thanh Q., Quy, Phan T., Phu, Nguyen V., Thuy, Nguyen T. T., Nguyen, Thi V. A., Triet, Nguyen T., Pham, Duy T., Tran, Van D., Nhung, Nguyen T. A. |
| Předmět: |
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| Zdroj: |
Tropical Journal of Natural Product Research; Aug2024, Vol. 8 Issue 8, p7947-7955, 8p |
| Abstrakt: |
Cleistocalyx operculatus is ubiquitous and known by folk experiences for its antimicrobial properties, thus promising as a low-cost green pesticide. In this work, the plant ethanol extract was investigated against Cercospora nicotianae, a pathogenic fungus implicated in the leaf spot in Pennywort. Characterisation of the plant extract showed 21 identifiable constituents (1-21), with the major components: 4',5'-dimethoxy-2'-hydroxy-4-methylchalcone (21; 41.71 %), phytol (15; 8.46 %), and 5.7-dimethoxyflavanone (20; 5.20 %). The in vitro antifungal screening of the extract revealed potent inhibitory capacity up to 7 days after inoculation (concentration = 9.54 mg.mL-1). The inhibitory potential was predicted by docking simulation, i.e., 19-Q6DQW3 (DS -10.7 kcal.mol-1; DSmax -12.7 kcal.mol-1) > 21-Q6DQW3 (DS -10.3 kcal.mol-1; DSmax -11.9 kcal.mol-1) > 20-Q6DQW3 (DS -10.3 kcal.mol-1 ; DSmax -11.7 kcal.mol-1). The chemical potentiality was derived from quantum calculation, i.e., 22 (-1172.77 a.u.) > 21 ≈ 19 (approx. - 1000 a.u.) > 20 (-ca. -950 a.u.) for chemical stability, and 3 (3.40 Debye), 15 (2.47 Debye), and 5 (2.03 Debye) for physical compatibility. The suitability for biological and pesticidal applications was justified by physicochemical analyses. The results revealed a firm correlation between the extracted major constituents (20 and 21) and the total antifungal activity against C. nicotianae, thus encouraging its local usage. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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