Journal
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
Volume 42, Issue 3, Pages 481-489Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ci010113h
Keywords
-
Ask authors/readers for more resources
This article described a 3D structure database of components extracted from Chinese Traditional Medicinal (CTM) herbs. It offers, not only basic molecular properties and optimized 3D structure of the compounds but also detailed information on their herbal origin, including basic herbal category (e.g. English name, Latin name. and family), effective parts, and clinical effects. An easy to use, interactive GUI browser allows users to perform various searches via complex logical query builder. Combined with the latest network database engine (MySQL.), it can achieve excellent performance under both a local network and an Internet environment. We have tested it on the design of inhibitors of NS3-NS4A protease. Results show that the structure database of component,, extracted from Chinese medicinal herbs can be a rich source in searching the lead compound.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available