换一批Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties.
第一作者：
Travis T,Wager
第一单位：
Neuroscience Medicinal Chemistry, Pfizer PharmaTherapeutics Research and Development, 558 Eastern Point Road, Groton, Connecticut, USA. travis.t.wager@pfizer.com
作者：
关键词
CNS MPOCNS candidatesCNS drugsHarrington optimizationMadin?Darby canine kidneyMultiparameter optimization (MPO)P-glycoproteinUnbound intrinsic clearancecellular toxicitycentral nervous system (CNS)desirability scoredofetilide bindingdrug?drug interactionshigh-throughput screeninghuman liver microsome stabilityhydrogen bond donorlipophilicitymolecular weightmost basic pKamultivariant optimizationpassive permeabilitypolaritytopological polar surface areatransformed human liver epithelial cells
医学主题词
算法(Algorithms);动物(Animals);细胞系(Cell Line);细胞存活(Cell Survival);中枢神经系统(Central Nervous System);中枢神经系统药物(Central Nervous System Agents);细胞色素P450酶系统(Cytochrome P-450 Enzyme System);狗(Dogs);药物设计(Drug Design);药物发现(Drug Discovery);终点测定(Endpoint Determination);人类(Humans);氢键合(Hydrogen Bonding);微粒体, 肝(Microsomes, Liver);分子量(Molecular Weight);神经元(Neurons);构效关系(Structure-Activity Relationship)
DOI
10.1021/cn100008c
PMID
22778837
发布时间
2021-10-21
- 浏览132
ACS chemical neuroscience
435-49页
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