哪些隐匿位点是可行的药物靶点?

IF 6.5 2区 医学 Q1 PHARMACOLOGY & PHARMACY
Maria Lazou, Dima Kozakov, Diane Joseph-Mccarthy, Sandor Vajda
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引用次数: 0

摘要

隐蔽位点可以扩大可药用蛋白质的空间,但在进行任何重大努力之前,需要对这些位点的潜在用途进行研究。由于没有形成结合口袋,人们对这类位点的可药用性并不十分了解。对蛋白质及其配体的分析表明,主要通过侧链移出结合口袋以实现配体结合而形成的隐蔽位点,一般不能以足够的效力结合药物大小的分子。相比之下,由环状或铰链运动形成的位点则可能是有价值的药物靶点。本文从经典的酶抑制理论以及侧链运动和配体结合的动力学角度提出了解释其根本原因的论据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Which cryptic sites are feasible drug targets?

Cryptic sites can expand the space of druggable proteins, but the potential usefulness of such sites needs to be investigated before any major effort. Given that the binding pockets are not formed, the druggability of such sites is not well understood. The analysis of proteins and their ligands shows that cryptic sites that are formed primarily by the motion of side chains moving out of the pocket to enable ligand binding generally do not bind drug-sized molecules with sufficient potency. By contrast, sites that are formed by loop or hinge motion are potentially valuable drug targets. Arguments are provided to explain the underlying causes in terms of classical enzyme inhibition theory and the kinetics of side chain motion and ligand binding.

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来源期刊
Drug Discovery Today
Drug Discovery Today 医学-药学
CiteScore
14.80
自引率
2.70%
发文量
293
审稿时长
6 months
期刊介绍: Drug Discovery Today delivers informed and highly current reviews for the discovery community. The magazine addresses not only the rapid scientific developments in drug discovery associated technologies but also the management, commercial and regulatory issues that increasingly play a part in how R&D is planned, structured and executed. Features include comment by international experts, news and analysis of important developments, reviews of key scientific and strategic issues, overviews of recent progress in specific therapeutic areas and conference reports.
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