“精准医疗”背景下的分子靶向药物研究——精准药物设计策略浅析

展鹏; 王学顺; 刘新泳

doi:10.7536/PC160325

化学进展 ›› 2016, Vol. 28 ›› Issue (9) :1363-1386 DOI: 10.7536/PC160325

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“精准医疗”背景下的分子靶向药物研究——精准药物设计策略浅析

展鹏, 王学顺, 刘新泳*

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Contemporary Molecular Targeted Drug in the Context of “Precision Medicine”: An Attempting Discussion of “Precision Drug Design”

Zhan Peng, Wang Xueshun, Liu Xinyong*

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摘要

如何实现对肿瘤、病毒感染等严重危害人类健康的疾病的精准治疗是当前医学界的难题和研究热点。随着“精准医疗”计划的启动，当代药物设计也随之进入“精准”靶向药物分子设计时代。基于靶标结构的合理药物设计及特异性的药物递送系统是当代精准药物设计的重要方面。靶标-配体精准相互作用为基于靶标的合理药物设计奠定了理论基础；精准“制导”化学合成方法学的研究为药物合成提供了强有力的工具；灵敏、准确分子探针的研究为当代化学生物学及发现特异性的药物递送系统提供有效的辅助手段。本文从以上几方面，从药物化学的视角综述了“精准医疗”背景下的分子靶向诊疗药物研究。

Abstract

How to cure serious diseases which do harm to the health of human being such as tumor and virus infection by "precision medicine" is always a difficult problem and a research hotspot in the medical field. With the launch of "precision medicine" project, contemporary drug design has reached the new era, namely, "precise" targeted drug molecular design should be one of the key pillars of precision medicine. The structure-based rational drug design and the targeted drug delivery system are important aspects of the contemporary "precision drug design". Precise noncovalent interactions between ligands and proteins lay the theoretical foundations for structure-based rational drug design. The development of new synthetic methodologies provides a powerful tool for drug precise synthesis, focusing both on the identification of intrinsically novel reactions, as well as the discovery of improved methods for carrying out existing transformations. Chemical biology has a significant role to play in the discovery and validation of new therapeutic targets. Over the past few years, many sensitive and accurate probes based on small organic molecules have demonstrated considerable promise in "precision drug design" as they provide a chemoproteomic means to confirm and quantify target engagement and selectivity of small molecule drug candidates. In the viewpoint of medicinal chemistry, this review highlights recent advances made in contemporary molecular targeted drug design in the context of "precision medicine".

Contents
1 Introduction
2 Structure-based "precision drug design"
2.1 Target-specific drug design
2.2 Isoform-selective drug design
2.3 Drug design strategies to overcome drug resistance
3 Kinetic target-guided dynamic combina-toril chemistry
4 Precise noncovalent interactions between ligands and proteins
5 The development of new synthetic methodologies:late stage functionalization of drug-like molecules
6 Targeted drug precise delivery systems
6.1 Biomarker-based drug precise delivery systems
6.2 Microenvironment-based drug precise delivery systems
6.3 Drug precise delivery systems based on organ-specific enzymes
6.4 Organelle-targeted drug precise delivery systems:mitochondria
6.5 Photodynamic therapy
7 Probes:chemical biology tools for "precision drug design"
7.1 Peptides-based probes
7.2 H₂O₂ probes
7.3 H₂S probes
7.4 Thiol-mediated cleavable fluorescent probles
7.5 Fluoride probes
7.6 Cysteamine two-photon fluorescence probes
7.7 Photo-triggered probes
7.8 MAO-B-specific probes
7.9 Biotin-based probes and diagnostic reagents
8 Conclusions and outlook

Graphical abstract

关键词

精准医疗 / 分子靶向药物 / 精准药物设计 / 药物化学 / 探针 / 化学生物学 / 药物发现

Key words

precision medicine / molecular targeted drug / precision drug design / medicinal chemistry / probe / chemical biology / drug discovery

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展鹏, 王学顺, 刘新泳. “精准医疗”背景下的分子靶向药物研究——精准药物设计策略浅析[J]. 化学进展, 2016, 28(9): 1363-1386 DOI:10.7536/PC160325

Zhan Peng, Wang Xueshun, Liu Xinyong. Contemporary Molecular Targeted Drug in the Context of “Precision Medicine”: An Attempting Discussion of “Precision Drug Design”[J]. Progress in Chemistry, 2016, 28(9): 1363-1386 DOI:10.7536/PC160325

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