Understanding Membrane Protein Drug Targets in Computational Perspective.

Membrane proteins play a crucial physiological role in vivo and are the major category of drug targets for pharmaceuticals. The research on membrane protein is a significant part in drug discovery due to a membrane protein can be regarded as a vital hub while most drug effect by drug-target interaction and the biological process can be supposed as a cycled network. In this review, typical membrane protein targets are described, including GPCRs, transporters, ion channels. In addition, network servers and databases referring to the drug and target information as well as drug discovery data are concluded. Furthermore, we chiefly introduce the development and practice of modern medicines, particularly demonstrating a series of state-of-the-art computational models for prediction of drug-target interaction containing network-based approach and machine learning based approach as well as current achievements. Finally, we discuss the prospective orientation of drug repurposing and drug discovery as well as propose some improved framework in quantitative bioactivity data, created or improved predicted approaches, alternative understanding approaches of drugs bioactivity and their biological processes.