论文信息：Yanqing Gao , Yong Wang , Jian Li b, ⁎ , Shibin Shang, Zhanqian Song . Improved application of natural forest product terpene for discovery of potential botanical fungicide.Industrial Crops & Products 126 (2018) 103–112.
JCR分区Q1，中科院大类一区, IF=3.849
论文摘要：The development of efficient terpenoid fungicides and exploration of its action mechanism is of great sig-nificance for the prevention and control of agricultural diseases. To confirm our previous findings on naturally occurring antifungal products with ecofriendly features, 40 terpene-based acyl-thiourea derivatives were syn-thesized and structurally characterized by 1 H NMR, ESI-MS, elemental analysis and IR spectroscopy. Their in-hibitory activities against several fungi, including Botrytis cinerea, Sclerotinia sclerotiorum and Thanatephorus cucumeris, were assessed by the growth rate method and the in vivo antifungal effects of these compounds against Thanatephorus cucumeris were performed evaluated using detached leaves. The majority of these compounds showed moderate to marked antifungal activities. Of all compounds, myrtenyl-based acylthiourea (8i) displayed more pronounced antifungal activity against Thanatephorus cucumeris (EC 50 = 0.412mg/L) compared with carbendazim (EC 50 = 0.436mg/L). In vivo antifungal of compound 8i efficiency against Thanatephorus cucumeris was also excellent.Treatment with 8i of Thanatephorus cucumeris resulted in significantly influenced mor-phology, markedly increased cell membrane permeability, and reduced ATP amounts and ATPase activity in comparison with untreated controls. A total of four descriptors linking structures and antifungal activities
against Thanatephorus cucumeris were determined, including q S max , HOMO-LUMO, log MS and q N max , and employed to build a quantitative structure-activity relationship (QSAR) model (R 2 = 0.9673). Preliminary structure-ac-tivity relationship (SAR) and QSAR assessments revealed that electronic and steric effects as well as energy differences of various molecules markedly affected antifungal effects. These findings provide novel insights into the modes of action of terpene-based acyl-thiourea derivatives, which could constitute potential substitutes for current fungicides or leads for novel antifungal agent development.
