Zhang Lingrui, Wang Bin, Zhang Ruiqi, He Zhen, Zhang Mingzhi, Hao Tong, Sun Jinsheng
Tianjin Key Laboratory of Animal and Plant Resistance/College of Life Sciences, Tianjin Normal University, Tianjin 300387, China.
Curr Issues Mol Biol. 2025 Jul 21;47(7):575. doi: 10.3390/cimb47070575.
is a pathogenic bacterium widely distributed in marine environments, posing significant threats to aquatic organisms and human health. The overuse and misuse of antibiotics has led to the development of multidrug- and pan-resistant strains. There is an urgent need for novel antibacterial therapies with innovative mechanisms of action. In this work, a genome-scale metabolic network model (GMSN) of , named VPA2061, was reconstructed to predict the metabolites that can be explored as potential drug targets for eliminating infections. The model comprises 2061 reactions and 1812 metabolites. Through essential metabolite analysis and pathogen-host association screening with VPA2061, 10 essential metabolites critical for the survival of were identified, which may serve as key candidates for developing new antimicrobial strategies. Additionally, 39 structural analogs were found for these essential metabolites. The molecular docking analysis of the essential metabolites and structural analogs further investigated the potential value of these metabolites for drug design. The GSMN reconstructed in this work provides a new tool for understanding the pathogenic mechanisms of . Furthermore, the analysis results regarding the essential metabolites hold profound implications for the development of novel antibacterial therapies for -related disease.
是一种广泛分布于海洋环境中的致病细菌，对水生生物和人类健康构成重大威胁。抗生素的过度使用和滥用导致了多重耐药和泛耐药菌株的出现。迫切需要具有创新作用机制的新型抗菌疗法。在这项工作中，重建了一个名为VPA2061的的基因组规模代谢网络模型（GMSN），以预测可作为消除感染潜在药物靶点的代谢物。该模型包含2061个反应和1812个代谢物。通过使用VPA2061进行必需代谢物分析和病原体-宿主关联筛选，确定了对生存至关重要的10种必需代谢物，它们可能是开发新抗菌策略的关键候选物。此外，还发现了这些必需代谢物的39种结构类似物。必需代谢物和结构类似物的分子对接分析进一步研究了这些代谢物在药物设计中的潜在价值。这项工作中重建 的GSMN为理解的致病机制提供了一种新工具。此外，关于必需代谢物的分析结果对开发针对相关疾病的新型抗菌疗法具有深远意义。
