摘要
随着医学的进步,人们对疾病复杂的发病机制有了更深的了解,从整体视角揭示药物的作用机制和治疗效果已成为目前药物设计的重中之重,而传统的药物设计方法已无法满足当前的形势和需求。近年来,系统生物学的飞跃发展使得包括代谢组学、基因组学、蛋白组学在内的多项新技术被广泛运用于药物研发。作为连接传统制药理论和现代科学的桥梁,计算机辅助药物设计的引入能够加快新药研究与设计的进程,缩短药物研发周期,提高药物研发的成功率。系统生物学和计算机辅助药物设计技术的应用为从整体视角揭示药物的作用机制提供了方法基础和前进方向。该文从多个角度介绍了系统生物学在计算机辅助药物设计方面的研究现状和应用,并提出系统生物学在计算机辅助药物设计领域中可预见的未来发展方向,为推动系统生物学在计算机辅助药物设计领域的应用提供了参考和思考。
With the advances in medicine,people have deeply understood the complex pathogenesis of diseases.Revealing the mechanism of action and therapeutic effect of drugs from an overall perspective has become the top priority of drug design.However,the traditional drug design methods cannot meet the current needs.In recent years,with the rapid development of systems biology,a variety of new technologies including metabolomics,genomics,and proteomics have been used in drug research and development.As a bridge between traditional pharmaceutical theory and modern science,computer-aided drug design(CADD)can shorten the drug development cycle and improve the success rate of drug design.The application of systems biology and CADD provides a methodological basis and direction for revealing the mechanism and action of drugs from an overall perspective.This paper introduces the research and application of systems biology in CADD from different perspectives and proposes the development direction,providing reference for promoting the application.
作者
王雨晴
胡孔法
胡晨骏
WANG Yu-qing;HU Kong-fa;HU Chen-jun(College of Artificial Intelligence and Information Technology,Nanjing University of Chinese Medicine,Nanjing 210023,China;Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Shanghai 201210,China)
出处
《中国中药杂志》
CAS
CSCD
北大核心
2023年第11期2868-2875,共8页
China Journal of Chinese Materia Medica
基金
国家自然科学基金青年基金项目(82004499)
国家自然科学基金面上项目(82074580)
江苏省高等学校自然科研研究面上基金项目(19KJB520012)。
关键词
系统生物学
计算机辅助药物设计
药物研发
研究趋势
systems biology
computer-aided drug design
drug research and development
research trends
