Baró Eloy Lozano, Catti Federica, Estarellas Carolina, Ghashghaei Ouldouz, Lavilla Rodolfo
Laboratory of Medicinal Chemistry, Faculty of Pharmacy and Food Sciences, University of Barcelona and Institute of Biomedicine UB (IBUB), Av. Joan XXIII, 27-31, 08028 Barcelona, Spain.
Faculty of Science and Mathematics, Arkansas State University Campus Querétaro, Carretera Estatal 100, km 17.5. C.P. 76270, Municipio de Colón, Estado de Querétaro, Mexico.
Drug Discov Today. 2024 Dec;29(12):104212. doi: 10.1016/j.drudis.2024.104212. Epub 2024 Oct 22.
Developing new drugs from marketed ones is a well-established and successful approach in drug discovery. We offer a unified view of this field, focusing on the new chemical aspects of the involved approaches: (a) chemical transformation of the original drugs (late-stage modifications, molecular editing), (b) prodrug strategies, and (c) repurposing as a tool to develop new hits/leads. Special focus is placed on the molecular structure of the drugs and their synthetic feasibility. The combination of experimental advances and new computational approaches, including artificial intelligence methods, paves the way for the evolution of the drugs from drugs concept.
从已上市药物开发新药是药物研发中一种成熟且成功的方法。我们提供了该领域的统一观点，重点关注所涉及方法的新化学方面：(a) 原始药物的化学转化（后期修饰、分子编辑），(b) 前药策略，以及 (c) 作为开发新活性分子/先导化合物工具的药物重新利用。特别关注药物的分子结构及其合成可行性。实验进展与包括人工智能方法在内的新计算方法相结合，为从药物概念发展药物铺平了道路。
