Core B Medicinal Chemistry

摘要 药物化学（MedChem）核心已经形成，以解决对新药物的迫切需求。 抗菌剂MedChem核心将与项目团队和其他核心无缝合作， 具有时间和成本效益的发现和开发针对高威胁细菌的新型先导化合物 感染.对其使命至关重要的是其在工业和学术药物化学方面的能力， 化学信息学和结构生物学，并辅以数十年的经验 相关细菌病原体的基础生物学。MedChem Core将帮助确认命中 通过计算或实验筛选发现，将其发展为早期并随后优化的线索 遵循在该过程的每个阶段具有分子的定量度量的定义的工作流程。的 MedChem Core将合作开展项目，重点是发现和开发A）间苯三酚 和Myxopyronin抗菌剂，B）抗结核分枝杆菌的利福霉素和恶唑烷酮试剂，C） 针对细胞壁生物合成或呼吸作用的抗结核药，D）通过挖掘生物合成 基因簇，和E）细菌细胞包膜生物发生抑制剂，以防止革兰氏阴性多药耐药 耐药性感染

Abstract The Medicinal Chemistry (MedChem) Core has been formed to address the urgent need for novel antibacterial agents. The MedChem Core will work seamlessly with the Project Teams and other Cores to drive the time- and cost-efficient discovery and development of novel lead compounds to target high-threat bacterial infections. Critical to its mission are its competencies in industrial and academic medicinal chemistry, cheminformatics, and structural biology, which are complemented by decades of experiences with the fundamental biology of the relevant bacterial agents. The MedChem Core will aid in the confirmation of hits discovered through computation or experimental screens, evolve these to early and then optimized leads following a defined workflow with quantitative metrics for molecules at each stage in the process. The MedChem Core will collaborate on projects focused on the discovery and development of A) phloroglucinol and myxopyronin antibacterials, B) rifamycin and oxazolidinone agents against Mycobacterium abscessus, C) antituberculars targeting cell wall biosynthesis or respiration, D) antibiotics suggested by mining of biosynthetic gene clusters, and E) bacterial cell envelope biogenesis inhibitors to prevent Gram-negative multi-drug resistant infections.