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纸质出版日期:2014
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孙冬梅, 陈玉兴, 曾晓会, 等. 基于系统生物学的计算机辅助药物设计中药研发新模式[J]. 中国实验方剂学杂志, 2014,20(17):223-227.
SUN Dong-mei, CHEN Yu-xing, ZENG Xiao-hui, et al. New Model Based on Systems Biology of Computer Aided Drug Design for Research and Development of Traditional Chinese Medicine[J]. Chinese journal of experimental traditional medical formulae, 2014, 20(17): 223-227.
孙冬梅, 陈玉兴, 曾晓会, 等. 基于系统生物学的计算机辅助药物设计中药研发新模式[J]. 中国实验方剂学杂志, 2014,20(17):223-227. DOI: 10.13422/j.cnki.syfjx.2014170223.
SUN Dong-mei, CHEN Yu-xing, ZENG Xiao-hui, et al. New Model Based on Systems Biology of Computer Aided Drug Design for Research and Development of Traditional Chinese Medicine[J]. Chinese journal of experimental traditional medical formulae, 2014, 20(17): 223-227. DOI: 10.13422/j.cnki.syfjx.2014170223.
随着人们对疾病的复杂发病机制的认识逐步加深,使得多靶标的药物开发成为一种必然趋势。中药以其多成分、多靶标整体调节的作用特点而受到越来越多的关注。从整体水平上阐明中药的有效物质基础及作用机制,是当前中药研究与开发的关键,而原有研发模式已不能满足深入系统地挖掘中医中药精髓的需求。作者经过大量的文献调研,发现随着系统生物学的快速发展,各种系统生物学技术被广泛应用于中药研发领域,与此同时,计算机辅助药物设计(CADD)技术在中药活性成分筛选、靶标发现、毒性预测、处方作用机制研究等方面也表现出独特优势。系统生物学及计算机辅助药物设计技术的广泛应用,将为从整体水平阐明中药作用机制提供新的思路与方法。因此,本文在分析当前中药开发的模式、综述系统生物学新技术和计算机辅助药物设计在中药研究中的作用的基础上,提出一种基于系统生物学技术和计算机辅助药物设计相结合的中药开发新模式,为中医药复杂理论体系研究、中医药现代化提供强有力的工具和手段。
With the deeply understanding of the disease pathogenesis
particularly the complex ones
multi-target drug design has become a new tendency of drug development. Nowadays
scientists pay more and more attention on traditional Chinese medicine (TCM)
due to its overall regulating characteristics of multi-component and multi-targets. Systematic pharmacological evaluation of the active compounds in Chinese herbal formula and the identification of the corresponding drug targets are the critical issues in the modern research of Chinese materia medica and the TCM. However
the current TCM drug development patterns and strategies have no longer meet the demand of TCM development. Literature researchers found that with the rapid development of systems biology
all kinds of systems biology technology is widely used in Chinese medicine research and development. At the same time
CADD technology shows unique advantages in active ingredients selection
target detection
toxicity prediction
and prescription mechanism exposition in traditional Chinese medicine. The wide application of systems biology and CADD technology
will provide new idea to clarify the mechanism of action of TCM. Hence
this manuscript aims to analyze the current TCM development patterns
review the application of systems biology technology
and CADD technology in the field of traditional Chinese medicine research and development. Base on the review and analysis
a new TCM development strategy that combining systems biology and CADD technology was proposed. This proposed strategy will provide a reference approach to study the complicated theoretical system and achieve modernization of TCM.
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