化学
小分子
化学空间
药物发现
组合化学
药品
简单(哲学)
虚拟筛选
分子
计算生物学
纳米技术
对接(动物)
立体化学
扁桃体
有机化学
药理学
生物化学
生物
医学
认识论
哲学
材料科学
作者
Maxwell D. Cummings,Sivakumar Sekharan
标识
DOI:10.1021/acs.jmedchem.8b01985
摘要
Interest is growing in the use of macrocycles in pharmaceutical discovery. Macrocylization may provide a gateway to an expanded chemical space for small-molecule drug discovery, and this could be beneficial in prosecuting difficult targets, e.g., protein-protein interactions. Most, but not all, macrocycle drugs are derived from natural products. Studies on synthetic drug-like small-molecule macrocycles are limited, and our current understanding of macrocycle drugs is similarly limited. Following some background discussion, we review several examples of the structure-based design of synthetic macrocycles. Our opinion is that in conformationally suitable systems macrocycles are an analog class worthy of consideration. We then summarize an approach for the initial evaluation of molecules as candidates for macrocyclization.
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