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Mechanistic Analysis and Design of Phenamacril-Based Inhibitors Targeting Myosin I of Rice Blast Disease Pathogen
Wei Yu1,2, Fei Liu1, Qianwen Guo2
1Jiangsu Key Laboratory for Conservation and Utilization of Plant Resources, Jiangsu Province Engineering Research Center of Eco-Cultivation and High Value Utilization of Chinese Medicinal Materials, Institute of Botany, Jiangsu Province and Chinese Academy of Sciences, Nanjing210014, China.
Abstract:
Magnaporthe oryzae is a devastating fungal pathogen causing blast disease in rice and other crops, threatening global grain production and food security. Phenamacril (PHA) effectively inhibits Fusarium graminearum by targeting F. graminearum myosin I (FgMyoI). However, PHA shows limited activity against M. oryzae, despite the high sequence similarity between FgMyoI and M. oryzae myosin I (MoMyoI). Using our published PHA-FgMyoI complex structure as a template, we identified K378 in MoMyoI as a key determinant of insensitivity to PHA. Substitution of K378 with methionine, the corresponding residue in FgMyoI, markedly enhanced PHA-mediated inhibition of MoMyoI ATPase activity and improved PHA efficacy against M. oryzae. Guided by structure-based design, we synthesized PHA derivatives targeting MoMyoI. Among them, NJY-10 showed improved MoMyoI binding, ATPase inhibition, and protective efficacy against rice blast disease.
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