Babu Rosana O, Moorkoth Dinsha, Azeez Shamina, Eapen Santhosh J
Bioinformation. 2012;8(7):319-25. doi: 10.6026/97320630008319. Epub 2012 Apr 13.
Glutathione S-transferases (GSTs) enzymes are critical antioxidant and detoxification system responsible for long-term existence of nematodes in host species. Hence, 16 phytochemicals predicted and reported to have potential nematicidal activity have been docked to GST enzyme of Meloidogyne incognita to assess their binding affinity and inhibitory activity. In vitro effects of these phytochemicals from in silico results have been done for validation of docking studies and efficacy in GST inhibition of following compounds such as alpha- pinene, alpha- terpineol, beta- caryophyllene, capsaicin, cinnamic acid, citronellol, curcumin, eugenol, geraniol, isoeugenol, linalool, myristicin, neral, NVA (N-vanillylnonanamide), piperine, vanillin have been revealed. Nematode inhibition in vitro bioassay for selected compounds could conclude that maximum mortality was observed with highest concentrations of beta- caryophyllene (78%) followed by eugenol (61.6%), cinnamic acid (55%) and N-vanillylnonanamide (49%). These findings thus suggest that the above phytochemicals could be potentially developed as nematicidal molecules against M. incognita infections.
谷胱甘肽S-转移酶（GSTs）是至关重要的抗氧化和解毒系统，负责线虫在宿主物种中的长期生存。因此，已将16种预测并报道具有潜在杀线虫活性的植物化学物质与南方根结线虫的GST酶进行对接，以评估它们的结合亲和力和抑制活性。基于计算机模拟结果，对这些植物化学物质进行了体外效应研究，以验证对接研究以及它们对以下化合物（如α-蒎烯、α-松油醇、β-石竹烯、辣椒素、肉桂酸、香茅醇、姜黄素、丁香酚、香叶醇、异丁香酚、芳樟醇、肉豆蔻醚、橙花醛、N-香草基壬酰胺、胡椒碱、香草醛）的GST抑制效果。对选定化合物的线虫体外抑制生物测定表明，在最高浓度的β-石竹烯（78%）作用下观察到最高死亡率，其次是丁香酚（61.6%）、肉桂酸（55%）和N-香草基壬酰胺（49%）。因此，这些发现表明上述植物化学物质有可能被开发为对抗南方根结线虫感染的杀线虫分子。
