In silico ADME/T modelling for rational drug design

Quarterly Reviews of Biophysics

Volumn 48, Issue 4, 2015, Pages 488-515

  Wang, Yulan ^a   Xing, Jing ^a   Xu, Yuan ^a   Zhou, Nannan ^b   Peng, Jianlong ^a   Xiong, Zhaoping ^c   Liu, Xian ^a   Luo, Xiaomin ^a   Luo, Cheng ^a   Chen, Kaixian ^a   Zheng, Mingyue ^a   Jiang, Hualiang ^a,b,c  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c SHANGHAITECH UNIVERSITY   (China)

Author keywords

ADME T; Drug Design; Pharmacokinetics; Predictive Toxicology; QSAR

Indexed keywords

LIGAND; PROTEIN BINDING;

ANIMAL; BINDING SITE; BIOAVAILABILITY; BIOLOGICAL MODEL; BLOOD BRAIN BARRIER; CONFORMATION; DRUG DESIGN; DRUG DEVELOPMENT; HUMAN; INTESTINE; MOUSE; PATHOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; THERMODYNAMICS; TRANSPORT AT THE CELLULAR LEVEL; X RAY CRYSTALLOGRAPHY;

ANIMALS; BINDING SITES; BIOLOGICAL AVAILABILITY; BIOLOGICAL TRANSPORT; BLOOD-BRAIN BARRIER; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG DISCOVERY; HUMANS; INTESTINES; LIGANDS; MICE; MODELS, BIOLOGICAL; MOLECULAR CONFORMATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLUBILITY; THERMODYNAMICS;

EID: 84949319273     PISSN: 00335835     EISSN: 14698994     Source Type: Journal    
DOI: 10.1017/S0033583515000190     Document Type: Review

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