先导化合物

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先导化合物(lead compound)是一种具有药理学或生物学活性的化合物,可被用于开发新药,其化学结构可被进一步优化,以提高药力、选择性,改善药物动力学性质。通过高通量筛选(high-throughput screenings)可发现先导化合物,或通过天然物的次级代谢产物找到先导化合物。新发现的先导化合物也许存在某些缺陷,如活性不够高、化学结构不稳定、毒性较大、选择性不好、药物动力学性质不合理等,需要进行化学优化,将药性提高至足以进行生物试验或临床试验的程度,再进一步优化使之发展为理想的药物,这一过程称为先导化合物的优化。
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