11β-羟甾脱氢酶 1 的晶体结构及其在药物发现中的应用。
Crystal structures of 11β-hydroxysteroid dehydrogenase type 1 and their use in drug discovery.
机构信息
Medicinal Chemistry, Department of Pharmacy & Pharmacology, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
出版信息
Future Med Chem. 2011 Mar;3(3):367-90. doi: 10.4155/fmc.10.282.
Abstract
Cortisol is synthesized by 11β-hydroxysteroid dehydrogenase type 1, inhibitors of which may treat disease associated with excessive cortisol levels. The crystal structures of 11β-hydroxysteroid dehydrogenase type 1 that have been released may aid drug discovery. The crystal structures have been analyzed in terms of the interactions between the protein and the ligands. Despite a variety of structurally different inhibitors the crystal structures of the proteins are quite similar. However, the differences are significant for drug discovery. The crystal structures can be of use in drug discovery, but care needs to be taken when selecting structures for use in virtual screening and ligand docking.
摘要
皮质醇由 11β-羟甾类脱氢酶 1 合成，其抑制剂可能治疗与皮质醇水平过高有关的疾病。已公布的 11β-羟甾类脱氢酶 1 的晶体结构可能有助于药物发现。已经从蛋白质与配体的相互作用方面分析了晶体结构。尽管抑制剂的结构有很大差异，但蛋白质的晶体结构非常相似。然而，这些差异对药物发现具有重要意义。晶体结构可用于药物发现，但在选择用于虚拟筛选和配体对接的结构时需要小心。
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