Zhou Jinming, Li Quanjie, Wu Meng, Chen Chao, Cen Shan
Institute of Medicinal Biotechnology, Chinese Academy of Medical Science, Beijing, China.
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Curr Pharm Des. 2016;22(21):3182-9. doi: 10.2174/1381612822666160224125121.
Polypharmacology plays an important role in drug discovery. Polypharmacology drugs strategy provides a novel way in drug design. However, to develop a polypharmacology drug with desired profile remains a challenge.
Owing to the huge progress in computational biology and chemistry, the rational drug design is becoming increasingly important in discovery of polypharmacology drug.
Several methodologies on the rational polypharmacology drug design have been developed, which are summarized and classified as ligand based design in polypharmacology, target based design in polypharmacology, and the hybrid of ligand and target based design in polypharmacology.
We give an overview of the importance of polypharmacology in drug design and current trends in rational design of polypharmacology, which may be beneficial to the design and development of polypharmacology drugs.
多靶点药理学在药物研发中发挥着重要作用。多靶点药理学药物策略为药物设计提供了一种新方法。然而，开发具有理想特性的多靶点药理学药物仍然是一项挑战。
由于计算生物学和化学取得了巨大进展，合理药物设计在多靶点药理学药物发现中变得越来越重要。
已经开发了几种合理的多靶点药理学药物设计方法，这些方法被总结并分类为多靶点药理学中的基于配体的设计、多靶点药理学中的基于靶点的设计以及多靶点药理学中基于配体和靶点的混合设计。
我们概述了多靶点药理学在药物设计中的重要性以及多靶点药理学合理设计的当前趋势，这可能有助于多靶点药理学药物的设计和开发。
