TITLE:
Application of Computer-Aided Drug Design to Traditional Chinese Medicine
AUTHORS:
Jie Yang
KEYWORDS:
Traditional Chinese Medicine; Drug Target Discovery; Chinese Herbal Drugs; Drug Design; Virtual Screening
JOURNAL NAME:
International Journal of Organic Chemistry,
Vol.3 No.1A,
April
29,
2013
ABSTRACT: Computer-aided drug design (CADD)
is an interdisciplinary subject, playing a pivotal role
during new drug research and development, especially the discovery and
optimization of lead compounds. Traditional Chinese Medicine (TCM)
modernization is the only way of TCM development and also an effective approach
to the development of new drugs and the
discovery of potential drug targets (PDTs). Discovery and validation of PTDs
has become the “bottle-neck” restricted new drug research and development and
is urgently solved. Innovative drug research is of great significance and bright
prospects. This paper mainly discusses the “druggability” and specificity of
PTDs, the “druglikeness” of drug candidates, the methods and technologies of
the discovery and validation of PTDs and their application. It is very important
to achieve the invention and innovation strategy “from gene to drug”. In virtue of modern high-new technology, especially
CADD, combined with TCM theory, research and develop TCM and initiate an
innovating way fitting our country progress. This paper mainly discusses CADD
and their application to drug research, especially TCM modernization.