新型基质金属蛋白酶-13 抑制剂的合成、初步生物学评价及分子模拟。
Synthesis, preliminary biological evaluation and molecular modeling of some new heterocyclic inhibitors of TACE.
机构信息
Organic Synthesis Division, Sun Pharma Advanced Research Company Ltd, Tandalja, Vadodara 390012, Gujarat, India.
出版信息
Eur J Med Chem. 2011 Nov;46(11):5549-55. doi: 10.1016/j.ejmech.2011.09.018. Epub 2011 Sep 21.
PMID:21963348
Abstract
Central heteroaryl ring analogues belonging to a series of potent hydroxamate TACE inhibitors were synthesized. The TACE inhibitory activities of these compounds were evaluated by in vitro WBA and in silico molecular modeling studies using crystal structure of human TACE. Compound 14 showed very good in vitro inhibition, supported by the in silico docking studies.
摘要
合成了一系列强效羟肟酸 TACE 抑制剂的中心杂芳环类似物。通过使用人 TACE 晶体结构的体外 WBA 和计算机分子模拟研究评估了这些化合物的 TACE 抑制活性。化合物 14 表现出非常好的体外抑制活性，计算机对接研究也支持这一点。
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