College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, 10 Poyang Lake Road, West Zone of Tuanbo New City, Jinghai District, Tianjin, 301617, China.
Military Medicine Section, Logistics University of People's Armed Police Force, 1 Huizhihuan Road, Dongli District, Tianjin, 300309, China.
Comput Biol Chem. 2021 Feb;90:107402. doi: 10.1016/j.compbiolchem.2020.107402. Epub 2020 Dec 3.
Traditional Chinese medicine (TCM) has been used for more than 2000 years in China. TCM has received wide attention recently due to its unique charm. At the same time, its main obstacles have attracted wide attention, including vagueness of drug composition and treatment mechanism. With the development of virtual screening technology, more and more Chinese medicine compounds have been studied to discover the potential active components and mechanisms of action. Molecular docking is a computer technology based on structural design. Network pharmacology establishes powerful and comprehensive databases to understand the relationship between TCM and disease network. In this review, emergent uses and applications of two techniques and further superiorities of the two techniques when embarked to boil down into a tidy system were illustrated. A combination of the two provides a theoretical basis and technical support for the construction of modern TCM based on the compatibility of components and accelerates the realization of two basic elements as well, including the clearness of the pharmacodynamic substances and explanation of the effect of TCM.
中医药在中国已经使用了 2000 多年。由于其独特的魅力，中医药最近受到了广泛关注。同时，其主要障碍也引起了广泛关注，包括药物成分和治疗机制的模糊性。随着虚拟筛选技术的发展，越来越多的中药化合物被研究以发现潜在的活性成分和作用机制。分子对接是一种基于结构设计的计算机技术。网络药理学建立了强大而全面的数据库，以了解中药与疾病网络之间的关系。在这篇综述中，阐述了这两种技术的新兴用途和应用，以及当它们结合在一起时的进一步优势，将其归结为一个整洁的系统。这两种技术的结合为基于成分配伍的现代中医药构建提供了理论基础和技术支持，加速了药效物质的明确性和中医药作用解释这两个基本要素的实现。
