Structure-Based Ligand Design of Novel Bacterial RNA Polymerase Inhibitors
Structure-Based Ligand Design of Novel Bacterial RNA Polymerase Inhibitors
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DOI：
10.1021/ml200087m
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发表时间：
2011-10-01
影响因子：
4.2
通讯作者：
Fishwick, Colin W. G.
中科院分区：
文献类型：
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作者：
McPhillie, Martin J.;Trowbridge, Rachel;Fishwick, Colin W. G.
细菌RNA聚合酶（RNAP）是转录所必需的，并且是小分子抑制剂的抗菌靶标。细菌RNAP抑制剂MyxB的结合区为设计新的抑制剂提供了可能性。分子设计程序SPROUT已经与嗜热栖热菌RNAP与MyxB的X射线共晶结构结合使用，以设计基于取代的吡啶基苯甲酰胺支架的新型抑制剂。一系列的分子，
Bacterial RNA polymerase (RNAP) is essential for transcription and is an antibacterial target for small molecule inhibitors. The binding region of myxopyronin B (MyxB), a bacterial RNAP inhibitor, offers the possibility of new inhibitor design. The molecular design program SPROUT has been used in conjunction with the X-ray cocrystal structure of Thermus thermophilus RNAP with MyxB to design novel inhibitors based on a substituted pyridyl-benzamide scaffold. A series of molecules, with molecular masses