计算机辅助药物设计在天然抗肿瘤药物研究中的应用  

Application of Computer Aided Drug Design in Natural Anti-tumor Drug Research

作　　者：徐度玲 李鸿岩[1,2,3,4,5,6] 张红 柳佳娣[1,3,4,5,6] Xu Duling;Li Hongyan;Zhang Hong;Liu Jiadi(Department of Medicine,Institute of Modern Physics,Chinese Academy of Sciences,Lanzhou 730000,China;Key Laboratory of Heavy Ion Radiation Biology and Medicine,Chinese Academy of Sciences,Lanzhou 730000,China;Key Laboratory of Applied Basic Research of Heavy Ion Radiation Medicine,Lanzhou 730000,China;School of Nuclear Science and Technology,University of Chinese Academy of Sciences,Beijing 100039,China;Advanced Energy Science and Technology Guangdong Laboratory,Huizhou 516029,China;Gansu Provincial Isotope Laboratory,Lanzhou 730300,China)

机构地区：[1]中国科学院近代物理研究所医学物理研究室,甘肃兰州730000 [2]中国科学院重离子束辐射生物医学重点实验室,甘肃兰州730000 [3]甘肃省重离子辐射医学应用基础研究重点实验室,甘肃兰州730000 [4]中国科学院大学核科学与技术学院,北京100039 [5]先进能源科学与技术广东省实验室,广东惠州516006 [6]甘肃省同位素实验室,甘肃兰州730300

出　　处：《宁夏大学学报（自然科学版）》2023年第1期44-52,共9页Journal of Ningxia University(Natural Science Edition)

基　　金：国家自然科学基金资助项目(11875061,12005042);中央引导地方科技发展资金资助项目(YDZX20216200001201);国家重点研发计划基金资助项目(2018YFE0205100);中科院西部青年学者基金资助项目(E223221YXB);甘肃省自然科学基金资助项目(20JR5RA550);甘肃省陇原青年创新创业人才基金资助项目(E139222SR0);广东省自然科学基金资助项目(2021A1515010027)。

摘　　要：随着医学科技的进步,肿瘤的治疗方法及手段逐渐多样化,且效果好、副作用小的治疗方法是研究人员不断追求的目标.天然产物是抗肿瘤药物的巨大药用宝库,随着信息技术的发展,计算机辅助药物设计在天然产物的开发、优化中发挥了重要的作用,为天然抗肿瘤药物的筛选和应用提供了基础数据.论述计算机辅助药物设计在天然产物抗肿瘤研究中的应用,以期为天然抗肿瘤药物的研发提供参考.With the progress of medical science and technology,the treatment methods and means of tumors are gradually diversified.Treatment methods with good therapeutic effect and few side effects are the goals pursued by researchers.Natural products are medicinal treasures of anti-tumor drugs.With the development of information technology,computer-aided drug design has shown excellent effects in the development and optimization of natural products,which provides basic support for the screening and application of natural anti-tumor drugs.The application of computer-aided drug design in anti-tumor research of natural products is discussed in order to provide reference for the research and development of natural anti-tumor drugs.

关 键 词：计算机辅助药物设计 天然产物 抗肿瘤 

分 类 号：R979.1[医药卫生—药品] R857.3[医药卫生—药学]