Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0
Metabolic problems lead to numerous failures during clinical trials, and much effort is now
devoted to developing in silico models predicting metabolic stability and metabolites. Such …
devoted to developing in silico models predicting metabolic stability and metabolites. Such …
In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations
Metabolic problems lead to numerous failures during clinical trials, and much effort is now
devoted in developing in silico models predicting metabolic stability and metabolites. Such …
devoted in developing in silico models predicting metabolic stability and metabolites. Such …
Combined ensemble docking and machine learning in identification of therapeutic agents with potential inhibitory effect on human CES1
The human carboxylesterase 1 (CES1), responsible for the biotransformation of many
diverse therapeutic agents, may contribute to the occurrence of adverse drug reactions and …
diverse therapeutic agents, may contribute to the occurrence of adverse drug reactions and …
Molecular dynamics investigation of the substrate binding mechanism in carboxylesterase
Q Chen, ZJ Luan, X Cheng, JH Xu - Biochemistry, 2015 - ACS Publications
A recombinant carboxylesterase, cloned from Pseudomonas putida and designated as
rPPE, is capable of catalyzing the bioresolution of racemic 2-acetoxy-2-(2′-chlorophenyl) …
rPPE, is capable of catalyzing the bioresolution of racemic 2-acetoxy-2-(2′-chlorophenyl) …
The crystal structure of mouse ces2c, a potential ortholog of human CES2, shows structural similarities in substrate regulation and product release to human CES1
H Eisner, L Riegler-Berket, CFR Gamez… - International Journal of …, 2022 - mdpi.com
Members of the carboxylesterase 2 (Ces2/CES2) family have been studied intensively with
respect to their hydrolytic function on (pro) drugs, whereas their physiological role in lipid …
respect to their hydrolytic function on (pro) drugs, whereas their physiological role in lipid …
A new class of mammalian carboxylesterase CES6
RS Holmes, LA Cox, JL VandeBerg - Comparative Biochemistry and …, 2009 - Elsevier
Mammalian carboxylesterases (CES) exhibit broad substrate specificities, catalyse
hydrolytic and transesterification reactions with a wide range of drugs and xenobiotics and …
hydrolytic and transesterification reactions with a wide range of drugs and xenobiotics and …
Functional study of carboxylesterase 1 protein isoforms
Abstract Carboxylesterase 1 (CES1) is a primary human hepatic hydrolase involved in
hydrolytic biotransformation of numerous medications. Considerable interindividual …
hydrolytic biotransformation of numerous medications. Considerable interindividual …
Mammalian carboxylesterase 3: comparative genomics and proteomics
RS Holmes, LA Cox, JL VandeBerg - Genetica, 2010 - Springer
At least five families of mammalian carboxylesterases (CES) catalyse the hydrolysis or
transesterification of a wide range of drugs and xenobiotics and may also participate in fatty …
transesterification of a wide range of drugs and xenobiotics and may also participate in fatty …
Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1
Abstract Human carboxylesterase 1 (hCE1) is a key enzyme responsible for the hydrolysis of
a wide range of endogenous and xenobiotic esters, but the highly selective inhibitors …
a wide range of endogenous and xenobiotic esters, but the highly selective inhibitors …
Human carboxylesterase isozymes: catalytic properties and rational drug design
T Imai - Drug metabolism and pharmacokinetics, 2006 - jstage.jst.go.jp
Human carboxylesterase 1 (hCE-1, CES1A1, HU1) and carboxylesterase 2 (hCE-2, hiCE,
HU3) are a serine esterase involved in both drug metabolism and activation. Although both …
HU3) are a serine esterase involved in both drug metabolism and activation. Although both …
相关搜索
- docking analyses human carboxylesterase
- parallelized tool human carboxylesterase
- silico prediction human carboxylesterase
- selective inhibitor human carboxylesterase
- human carboxylesterase isozymes
- human ces1 ensemble docking
- human ces1 product release
- human ces1 structural similarities
- human ces1 substrate regulation
- human ces1 therapeutic agents
- drug design carboxylesterase isozymes
- catalytic properties carboxylesterase isozymes
- human ces1 machine learning
- parallelized tool docking analyses
- silico prediction docking analyses
- ensemble docking therapeutic agents