Jhansirani Nagaraju, Devappa Venkatappa, Sangeetha Chittarada Gopal, Sridhara Shankarappa, Shankarappa Kodegandlu Subbanna, Mohanraj Mooventhiran
Department of Plant Pathology, College of Horticulture-Bengaluru, University of Horticultural Sciences, Bagalkot 560 065, India.
Center for Climate Resilient Agriculture, Keladi Shivappa Nayaka University of Agricultural and Horticultural Sciences, Shivamogga 577 201, India.
Plants (Basel). 2023 Jun 2;12(11):2202. doi: 10.3390/plants12112202.
Compatibility interactions between the host and the fungal proteins are necessary to successfully establish a disease in plants by fungi or other diseases. Photochemical and antimicrobial substances are generally known to increase plant resilience, which is essential for eradicating fungus infections. Through homology modeling and in silico docking analysis, we assessed 50 phytochemicals from cucumber (), 15 antimicrobial compounds from botanical sources, and six compounds from chemical sources against two proteins of linked to cucumber downy mildew. Alpha and beta sheets made up the 3D structures of the two protein models. According to Ramachandran plot analysis, the QNE 4 effector protein model was considered high quality because it had 86.8% of its residues in the preferred region. The results of the molecular docking analysis showed that the QNE4 and cytochrome oxidase subunit 1 proteins of showed good binding affinities with glucosyl flavones, terpenoids and flavonoids from phytochemicals, antimicrobial compounds from botanicals (garlic and clove), and chemically synthesized compounds, indicating the potential for antifungal activity.
宿主与真菌蛋白之间的相容性相互作用对于真菌或其他病害在植物中成功引发疾病是必要的。光化学物质和抗菌物质通常被认为可增强植物的恢复力，这对于根除真菌感染至关重要。通过同源建模和计算机对接分析，我们评估了来自黄瓜的50种植物化学物质、来自植物源的15种抗菌化合物以及来自化学源的6种化合物对与黄瓜霜霉病相关的两种蛋白质的作用。α螺旋和β折叠构成了这两种蛋白质模型的三维结构。根据拉氏图分析，QNE 4效应蛋白模型被认为质量较高，因为其86.8%的残基位于优选区域。分子对接分析结果表明，该菌的QNE4和细胞色素氧化酶亚基1蛋白与植物化学物质中的葡萄糖基黄酮、萜类化合物和黄酮类化合物、植物源抗菌化合物（大蒜和丁香）以及化学合成化合物表现出良好的结合亲和力，表明具有抗真菌活性的潜力。
