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Int. J. Mol. Sci. 2016, 17(2), 246;

Systems Pharmacology in Small Molecular Drug Discovery

1,2,3,4,* and 1,2,3,4,*
Institute for Advancing Translational Medicine in Bone & Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, China
Institute of Integrated Bioinformedicine & Translational Science, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, China
Department of Scientific Research Management, Shanghai Guanghua Hospital of Integrated Traditional Chinese and Western Medicine, Shanghai 200052, China
Institute of Basic Research in Clinical Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China
Center of Bioinformatics, Northwest A&F University, Yangling 712100, Shanxi, China
Authors to whom correspondence should be addressed.
Academic Editor: Wenbin Deng
Received: 13 January 2016 / Revised: 1 February 2016 / Accepted: 5 February 2016 / Published: 18 February 2016
(This article belongs to the Section Biochemistry)
Full-Text   |   PDF [1202 KB, uploaded 18 February 2016]   |  


Drug discovery is a risky, costly and time-consuming process depending on multidisciplinary methods to create safe and effective medicines. Although considerable progress has been made by high-throughput screening methods in drug design, the cost of developing contemporary approved drugs did not match that in the past decade. The major reason is the late-stage clinical failures in Phases II and III because of the complicated interactions between drug-specific, human body and environmental aspects affecting the safety and efficacy of a drug. There is a growing hope that systems-level consideration may provide a new perspective to overcome such current difficulties of drug discovery and development. The systems pharmacology method emerged as a holistic approach and has attracted more and more attention recently. The applications of systems pharmacology not only provide the pharmacodynamic evaluation and target identification of drug molecules, but also give a systems-level of understanding the interaction mechanism between drugs and complex disease. Therefore, the present review is an attempt to introduce how holistic systems pharmacology that integrated in silico ADME/T (i.e., absorption, distribution, metabolism, excretion and toxicity), target fishing and network pharmacology facilitates the discovery of small molecular drugs at the system level. View Full-Text
Keywords: drug discovery; systems pharmacology; ADME/T; network pharmacology drug discovery; systems pharmacology; ADME/T; network pharmacology

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Zhou, W.; Wang, Y.; Lu, A.; Zhang, G. Systems Pharmacology in Small Molecular Drug Discovery. Int. J. Mol. Sci. 2016, 17, 246.

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