药物发现
模式
计算生物学
透视图(图形)
小分子
数据科学
计算机科学
纳米技术
化学
生物
生物信息学
材料科学
人工智能
生物化学
社会学
社会科学
作者
Alice Lanne,Laura Usselmann,Poppy Llowarch,Iacovos N. Michaelides,Martin C. Fillmore,Geoffrey A. Holdgate
标识
DOI:10.1016/j.drudis.2023.103670
摘要
Recently, there has been a change in the types of drug target entering early drug discovery portfolios. A significant increase in the number of challenging targets, or which would have historically been classed as intractable, has been observed. Such targets often have shallow or non-existent ligand-binding sites, can have disordered structures or domains or can be involved in protein–protein or protein–DNA interactions. The nature of the screens required to identify useful hits has, by necessity, also changed. The range of drug modalities explored has also increased and the chemistry required to design and optimise these molecules has adapted. In this review, we discuss this changing landscape and provide insights into the future requirements for small-molecule hit and lead generation.
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