化学
解构(建筑)
药物发现
透视图(图形)
生物化学
人工智能
计算机科学
生态学
生物
作者
J. Henry Blackwell,Iacovos N. Michaelides,Floriane Gibault
标识
DOI:10.1021/acs.jmedchem.5c00036
摘要
The deconstruction of known ligands to proteins into smaller, often fragment-sized components and subsequent regrowth from these leaner starting points has been shown to have interesting and useful application in medicinal chemistry. Such efforts can provide excellent start points for renewed hit-to-lead campaigns while assisting medicinal chemists in gaining a deeper understanding on the ligandability of a protein. Selected case-studies making strategic use of the deconstruction-reconstruction logic are examined herein, thus aiming to highlight the value of employing this approach in drug discovery programs.
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