换一批In silico and intuitive predictions of CYP46A1 inhibition by marketed drugs with subsequent enzyme crystallization in complex with fluvoxamine.
第一作者：
Natalia,Mast
第一单位：
Department of Ophthalmology and Visual Sciences, Case Western Reserve University, Cleveland, Ohio 44106, USA.
作者：
医学主题词
动物(Animals);抗抑郁药(Antidepressive Agents);脑(Brain);牛(Cattle);胆固醇(Cholesterol);计算机模拟(Computer Simulation);结晶(Crystallization);结晶学, X线(Crystallography, X-Ray);熵(Entropy);酶测定(Enzyme Assays);氟伏沙明(Fluvoxamine);人类(Humans);羟基化(Hydroxylation);微粒体(Microsomes);模型, 分子(Models, Molecular);分子结构(Molecular Structure);蛋白酶抑制药(Protease Inhibitors);蛋白质结合(Protein Binding);量化构效关系(Quantitative Structure-Activity Relationship);重组蛋白质类(Recombinant Proteins);立体异构现象(Stereoisomerism);甾类羟化酶类(Steroid Hydroxylases);反苯环丙铵(Tranylcypromine);水(Water)
DOI
10.1124/mol.112.080424
PMID
22859721
发布时间
2025-02-13
基金项目
GM62882/GM/NIGMS NIH HHS/United States
P41 RR001209/RR/NCRR NIH HHS/United States
P41-GM103393/GM/NIGMS NIH HHS/United States
P41-RR001209/RR/NCRR NIH HHS/United States
R01 GM062882/GM/NIGMS NIH HHS/United States
P41 GM103393/GM/NIGMS NIH HHS/United States
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Molecular pharmacology
824-34页
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