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从草药和中药中进行多组分药物设计的策略和技术。

Strategies and techniques for multi-component drug design from medicinal herbs and traditional Chinese medicine.

机构信息

Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou, 310058, China.

出版信息

Curr Top Med Chem. 2012;12(12):1356-62. doi: 10.2174/156802612801319034.

Abstract

Many common diseases like diabetes, cardiovascular disease, and cancer are caused or exacerbated by disparate physiological, pathological, environmental, and lifestyle factors. However, the chief aim of current drug discovery approaches is to search for single-entity drugs that interact with well-defined molecular targets (a single receptor or enzyme). The concept of multi-target drugs or multi-component therapy is gaining increased attention with the discovery that many diseases (like hypertension) are best treated by multi-drug or multi-target therapies. Traditional medicines, such as traditional Chinese medicine (TCM) and Indian Ayurveda, have been re-evaluated and are becoming important resources for the discovery of bioactive molecules with therapeutic effects and for designing multi-targets drugs. This article provides an overview of new strategies and techniques to design therapeutic regimes that comprise more than one active ingredient to produce synergistic effects by simultaneously interacting with multiple molecular targets. Advances in phytochemistry, high throughput screening, DNA sequencing, systems biology, and bioinformatics can reveal the chemical composition and molecular mechanisms of TCM and together provide a new template for the early stages of drug discovery. Meanwhile, clinical knowledge of TCM provides a promising framework for multi-component drug design. A renaissance of multi-component drug discovery inspired by traditional medicine is possible.

摘要

许多常见疾病,如糖尿病、心血管疾病和癌症,是由不同的生理、病理、环境和生活方式因素引起或加重的。然而,目前药物发现方法的主要目标是寻找与明确的分子靶标(单一受体或酶)相互作用的单一实体药物。随着发现许多疾病(如高血压)最好通过多药物或多靶点治疗来治疗,多靶点药物或多成分治疗的概念越来越受到关注。传统药物,如中药(TCM)和印度阿育吠陀,已经重新评估,并成为发现具有治疗效果的生物活性分子和设计多靶点药物的重要资源。本文概述了新的策略和技术,旨在设计包含多种活性成分的治疗方案,通过同时与多个分子靶标相互作用产生协同效应。植物化学、高通量筛选、DNA 测序、系统生物学和生物信息学的进展可以揭示中药的化学成分和分子机制,并共同为药物发现的早期阶段提供一个新的模板。同时,中药的临床知识为多成分药物设计提供了一个有前途的框架。受传统医学启发的多成分药物发现的复兴是可能的。

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