Assessment of Antifungal Potentials of Ethanol Extract of Cleistocalyx operculatus Roxb Against Cercospora nicotianae for Pesticidal Applicability: In Vitro and In Silico Screening
Year: 2024
Type: article
Abstract: 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 = 9.54mg.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.
Authors: Nguyen T. T. Hai, Thanh Q. Bui, Phan T. Quy, Nguyen V. Phu, Nguyen T. T. Thuy, Thi V. A. Nguyen, Nguyen T. Triet, Duy T. Pham, Van D. Tran, Nguyen T. A. Nhung
Language: English
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W4402122145