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Systems Pharmacology in Small Molecular Drug Discovery

by 1,2,3,4, 5, 1,2,3,4,* and 1,2,3,4,*
1
Institute for Advancing Translational Medicine in Bone & Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, China
2
Institute of Integrated Bioinformedicine & Translational Science, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong, China
3
Department of Scientific Research Management, Shanghai Guanghua Hospital of Integrated Traditional Chinese and Western Medicine, Shanghai 200052, China
4
Institute of Basic Research in Clinical Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China
5
Center of Bioinformatics, Northwest A&F University, Yangling 712100, Shanxi, China
*
Authors to whom correspondence should be addressed.
Academic Editor: Wenbin Deng
Int. J. Mol. Sci. 2016, 17(2), 246; https://doi.org/10.3390/ijms17020246
Received: 13 January 2016 / Revised: 1 February 2016 / Accepted: 5 February 2016 / Published: 18 February 2016
(This article belongs to the Section Biochemistry)
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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MDPI and ACS Style

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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