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Allied J Med Res 2017
Volume 1 Issue 2
September 01-02, 2017 London, UK
3rd International Conference and Expo on
Herbal & Alternative Medicine
Herbal Medicine 2017
Jun Xu
Sun Yat-Sen University, China
Jun Xu, Allied J Med Res 2017
Chinese herbal medicine innovation through
chemoinformatics
Chemoinformatics has been applied in Chinese
herbal medicine studies for decades. These
studies mainly focus on creating databases, mining the
active components, or classifying the Chinese herbal
medicines into hot or cold according to the theory of
Chinese Medicine. Conceptually, however, Chinese
herbal medicine is significantly different from western
medicine. From the view point of modern pharmacology,
a drug acts against at least one disease, while a Chinese
herbal medicine is taken against at least one symptom
that can be caused by many diseases. In this talk, the
relationship between the drug targets and the Chinese
medical concepts is articulated through herb-chemome-
MOA network (HCMN). Based upon the privileged
chemotypes (chemome) in HCMN, the knowledge
intrinsic to Chinese medicine can be translated into
new agents against the targets through the steps in this
protocol: (1) elucidate herbal compatibilities, (2) identify
active constituents, (3) derive privileged chemotypes,
(4) select targets by referencing HCMN, (5) enumerate
a virtual library by connecting the privileged chemotypes
with chemical linkers, (6) generate conformations for the
compounds in the virtual library, (7) virtually screen this
library against the selected targets from step 4, and (8)
confirm the hits by biological assays. The approach can
offer a bridge between Chinese herb treatments and the
search for molecular targets thus helping to discover
new chemotherapies for other systemic diseases.
Biography
Jun Xu received his PhD from University of Science & Technology of China, and
Postdoctoral studies from Australian National University and McGill University.
He is the Professor of School of Pharmaceutical Sciences and the Founding
Director of Research Center for Drug Discovery at Sun Yat-Sen University (SYSU).
Prior to joining SYSU, he worked in US pharmaceutical industry, practicing
chemoinformatics and computer-aided drug design (CADD) for over 20 years.
He was a Principle Scientist at Boehringer Ingelheim Pharmaceuticals, Inc., and
Research Director for BIO-RAD Sadtler Labs, Biofocus/DPI and other firms. He has
published more than 90 papers in reputed journals.