中医药院校计算机辅助药物设计课程改革与实践

Curriculum reform and practice of computer-aided drug design in Chinese medicine colleges and universities

计算机辅助药物设计(CADD)主要是以数学、药物化学、生物化学、分子生物学、结构化学等学科为基础,以量子化学、分子力学等为理论依据,借助计算机进行合理的药物设计。它不仅仅是交叉理论学科,更具有很强的实践性。计算机辅助药物设计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已表现出独特优势。学科交叉是科技与医学高速发展的大势所趋,在传统中医药理论指导下,借助计算机辅助药物设计结合现代生物学进行中医药理、法、方、药的研究,可以促进中医药研究的广度与深度。让中医药院校学生学习计算机辅助药物设计的理论及实践知识,可为日后跨学科助力药物研发做好准备。因此,在中医药院校开展计算机辅助药物设计等交叉性强的课程有助于中医药多学科交叉复合型人才的培养,建立适合中医药院校学生的计算机辅助药物设计授课模式对深入发掘中医药宝库中的精华,加快推进中医药现代化具有极大作用。基于此,本文结合自身教学经验及时代发展特点,在计算机辅助药物设计课程的授课过程中引入注重基础、衷中参西、重视实践等教学理念,在培养中医药多学科交叉复合型人才过程中取得较为明显的效果。通过对中医药专业计算机辅助药物设计的教改和实践进行深层次、全方位探讨和总结,可提升本课程的教学效果,为培养复合型中医药人才、拓宽中医药院校大学生的就业渠道奠定基础。

Computer-aided drug design(CADD) is based on mathematics,medicinal chemistry,biochemistry,molecular biology,structural chemistry and other disciplines,quantum chemistry,molecular mechanics and other theoretical basis,with the help of computers for rational drug design.It is not only an interdisciplinary theoretical discipline,but also has a strong practical.Computer-aided drug design technology has its unique advantages in the screening of Chinese medicine active ingredients,target discovery,toxicity prediction and prescription mechanism research.Interdisciplinary research is the trend of the rapid development of science and technology and medicine.Under the guidance of traditional Chinese medicine theory,the study of pharmacology,methods,prescriptions and drugs of traditional Chinese medicine by means of computer-aided drug design combined with modern biological methods can greatly promote the breadth and depth of traditional Chinese medicine research.Students in Chinese medicine colleges can learn the theory and practical knowledge of computer-aided drug design,which can prepare for future interdisciplinary drug research and development.Therefore,the development of computer-aided drug design and other cross-attribute courses in Chinese medicine colleges and universities is conducive to the cultivation of interdisciplinary talents in Chinese medicine,and the establishment of computer-aided drug design teaching mode suitable for students in Chinese medicine colleges and universities will play a great role in exploring the essence of the treasure house of Chinese medicine and accelerating the modernization of Chinese medicine.Based on these,this paper combined with the author's teaching experience and the characteristics of the development of the times,in the course of computeraided drug design course to introduce teaching concepts such as paying attention to the foundation,focusing on the Chinese and western,emphasizing on practice,in the process of training multi-disciplinary interdisciplinary talents in the process of achieving obvious results.Through the teaching reform and practice of computer-aided drug design in Chinese medicine major,this paper discusses and summarizes the teaching effect of this course in a deep and all-round way,and lays a foundation for training compound Chinese medicine talents and expanding the employment of Chinese medicine college students.