In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations
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Antihypertensive drugs metabolism: an update to pharmacokinetic profiles and computational approachesData from molecular dynamics simulations in support of the role of human CES1 in the hydrolysis of Amplex RedThe novel carboxylesterase 1 variant c.662A>G may decrease the bioactivation of oseltamivir in humansCarboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays.Global and local molecular dynamics of a bacterial carboxylesterase provide insight into its catalytic mechanism.Piperine activates human pregnane X receptor to induce the expression of cytochrome P450 3A4 and multidrug resistance protein 1Chemodiversity and molecular plasticity: recognition processes as explored by property spaces.Transforming dietary peptides in promising lead compounds: the case of bioavailable carnosine analogs.Design, synthesis, ADME properties, and pharmacological activities of β-alanyl-D-histidine (D-carnosine) prodrugs with improved bioavailability.Structural Effects of Some Relevant Missense Mutations on the MECP2-DNA Binding: A MD Study Analyzed by Rescore+, a Versatile Rescoring Tool of the VEGA ZZ Program.Clopidogrel bioactivation and risk of bleeding in patients cotreated with angiotensin-converting enzyme inhibitors after myocardial infarction: a proof-of-concept study.The Approach of Conformational Chimeras to Model the Role of Proline-Containing Helices on GPCR Mobility: the Fertile Case of Cys-LTR1
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Q26861570-36BD52B3-6CB8-4687-B905-17939B3D9FA9Q31052247-6A53B450-3081-499F-BAB0-7A931C9925C3Q33596716-33AF2F17-3410-458C-B7ED-FB5A26EDFC0AQ36451249-176E9239-628F-4B91-BEC7-7A8E6A60F5B7Q36702170-22B2F125-644F-40FD-BAD7-BB4BDD62D51EQ37179352-9D043C7B-48C2-4E97-A272-E80B695952F8Q37894716-935650C4-2F81-455F-9B7C-A85E30E27B28Q37979691-55863A67-EC3F-4946-9222-A93E3CC89984Q46498811-8EAA6A01-BE92-400D-82B7-CF60E1FDEEBAQ47956171-CB4EEF55-8FEE-4F4B-9116-2D7B8671BC88Q50622756-C8124492-25E8-49F5-A060-8D4C44943916Q57012489-52FDDC00-FB92-4C29-BC2F-43CCE69F722A
P2860
In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations
description
im Januar 2010 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2010
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name
In silico prediction of human ...... ng analyses and MD simulations
@en
In silico prediction of human carboxylesterase-1
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type
label
In silico prediction of human ...... ng analyses and MD simulations
@en
In silico prediction of human carboxylesterase-1
@nl
prefLabel
In silico prediction of human ...... ng analyses and MD simulations
@en
In silico prediction of human carboxylesterase-1
@nl
P50
P1476
In silico prediction of human ...... ng analyses and MD simulations
@en
P2093
Alessandro Pedretti
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P356
10.1016/J.BMC.2009.10.052
P407
P577
2010-01-01T00:00:00Z