含哌啶类药物及其近期研究的类似物的生物活性、作用机制及其支架的级联合成途径。

IF 5.9 2区 医学 Q1 CHEMISTRY, MEDICINAL
Daniel Łowicki, Piotr Przybylski
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引用次数: 0

摘要

本综述全面总结了目前已上市的含哌啶药物、新报道的生物活性分子(从2018年到2024年)以及过去7年多米诺骨牌合成策略的最新进展。哌啶取代模式在调节生物活性、药代动力学和分子识别(药物靶复合物的x射线和低温电镜结构)中的作用进行了讨论。哌啶是一种在药物化学中具有高度优势的支架,广泛存在于临床批准的药物和先导化合物中,除抗病毒药物外,主要对癌症、中枢神经系统和感染性疾病具有活性。哌啶是一种相对普遍的结构基序,通常具有较高的化学稳定性,可以调节亲脂性与水溶性,调节氢键供体与氢键受体的性质,或通过构象改变分子形状以适应分子靶标结合口袋的空间要求,即所考虑的药物的关键物理化学参数。从生物学的角度来看,结构中哌啶基序的存在增强了药物的可药性,因为这种杂环在代谢上相对稳定,促进药物通过天然膜的运输,改善药代动力学(ADME)特性,通常降低毒性。哌啶支架的代谢稳定性在很大程度上取决于氮的邻近位置的功能化。因此,为了改善这一参数,通常建议使用哌啶螺环生物异构体或哌啶-哌啶体系。有趣的是,前药而非辅助策略被用于设计含哌啶药物。在综合部分,绿色级联转换讨论了完整的机制解释,包括提出的途径的关键评估和建议更准确的机制选择。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Piperidine-containing drugs and recently studied analogs - biological activity, mechanism of action and synthetic cascade access to their scaffolds.

This review provides a comprehensive summary of currently marketed piperidine-containing pharmaceuticals, newly reported bioactive molecules (from 2018 to 2024), and recent advances in domino synthetic strategies focused on the last 7 years. Role of piperidine substitution patterns in modulating biological activity, pharmacokinetics, and molecular recognition (x-ray and cryo-EM structures of drug-target complexes) is discussed. Piperidine is a highly privileged scaffold in medicinal chemistry, present in a wide range of clinically approved drugs and lead compounds, mainly active against cancer, CNS and infective diseases, except for antiviral agents. The piperidine is relatively universal structural motif which offers often relatively high chemical stability, modulation of lipophilicity vs. water solubility, H-bond donor vs. H-bond acceptor properties, or adaptation (via conformation changes) the shape of molecule to steric demands of binding pockets of molecular targets, i.e. crucial physicochemical parameters of considered drugs. From the biological perspective the presence of piperidine motif in structure enhances druggability as this heterocycle is relatively metabolically stable, facilitates drug transport through the natural membranes, improves pharmacokinetic (ADME) properties at often reduced toxicity. Metabolic stability of piperidine scaffold strongly depends on the functionalization at neighboring positions regarding the nitrogen. Hence in order to improve this parameter, using piperidine spirocyclic bioisosteres or spiro-piperidyl systems is often recommended. It is interesting that prodrug but not adjuvant strategy is used to design piperidine-containing drugs. In the synthetic section, green cascade transformations are discussed with complete mechanistic interpretations, including a critical evaluation of proposed pathways and suggestions for more accurate mechanistic alternatives.

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来源期刊
CiteScore
11.70
自引率
9.00%
发文量
863
审稿时长
29 days
期刊介绍: The European Journal of Medicinal Chemistry is a global journal that publishes studies on all aspects of medicinal chemistry. It provides a medium for publication of original papers and also welcomes critical review papers. A typical paper would report on the organic synthesis, characterization and pharmacological evaluation of compounds. Other topics of interest are drug design, QSAR, molecular modeling, drug-receptor interactions, molecular aspects of drug metabolism, prodrug synthesis and drug targeting. The journal expects manuscripts to present the rational for a study, provide insight into the design of compounds or understanding of mechanism, or clarify the targets.
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