Computer aided drug design

1st Physics and Technologies in Medicine and Dentistry Symposium

物理学;医药卫生

Jain, A.^1

Department of Pharmaceutical Sciences, Jyoti Mahila Vidya Peeth, Jaipur, India^1

关键词: Computer aided drug design;    Computer-based methods;    Medicinal chemistry;    Molecular modeling systems;    Side effect;    Statistics analysis;    Structure activity relationships;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/884/1/012072/pdf
DOI  :  10.1088/1742-6596/884/1/012072

学科分类：卫生学

来源: IOP

【 摘 要 】

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.