Evaluation of the inhibitory effects of antigout drugs on human carboxylesterases in vitro
J Liang, X Yi, J Gong, Z Du - Toxicology in Vitro, 2024 - Elsevier
… Molecular docking of benzbromarone and lesinurad towards CESs Molecular docking
simulations were carried out to investigate the interaction mode between inhibitors (…
simulations were carried out to investigate the interaction mode between inhibitors (…
[HTML][HTML] Characterization of the metabolism of eupalinolide A and B by carboxylesterase and cytochrome P450 in human liver microsomes
Y Li, X Liu, L Li, T Zhang, Y Gao, K Zeng… - Frontiers in …, 2023 - frontiersin.org
… docking) and confirmed using human recombinant enzymes. The total normalized rate
approach was considered to assess the relative contributions of five major cytochrome P450s to …
approach was considered to assess the relative contributions of five major cytochrome P450s to …
[HTML][HTML] Carboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays
… silico docking simulations indicate that carboxylesterases 1 and 2 recognise Amplex Red with
the same kinetics as carboxylesterase-… Carboxylesterase 1 isoform b human was also from …
the same kinetics as carboxylesterase-… Carboxylesterase 1 isoform b human was also from …
… library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations
… .1.3), esterases, and carboxylesterases (EC 3.1.1.1) as well as various phospholipases,
have been found in a wide range of organisms ranging bacteria to human microbiota. Microbial …
have been found in a wide range of organisms ranging bacteria to human microbiota. Microbial …
Molecular and functional characterization of three novel carboxylesterases in the detoxification of permethrin in the mosquito, Culex quinquefasciatus
… using protein modeling analysis. Finally, a homology modeling, permethrin-docking analysis
… This article does not contain any studies with human participants or animals performed by …
… This article does not contain any studies with human participants or animals performed by …
Discovery of novel selective inhibitors of human intestinal carboxylesterase for the amelioration of irinotecan-induced diarrhea: synthesis, quantitative structure-activity …
RM Wadkins, JL Hyatt, KJP Yoon, CL Morton… - Molecular …, 2004 - ASPET
… must fit into the active site gorge of the carboxylesterase for inhibition, and given the steric
… conformers generated from the molecular dynamics simulation. These were aligned around …
… conformers generated from the molecular dynamics simulation. These were aligned around …
Functional Analysis of a Carboxylesterase Gene Associated With Isoprocarb and Cyhalothrin Resistance in Rhopalosiphum padi (L.)
K Wang, Y Huang, X Li, M Chen - Frontiers in Physiology, 2018 - frontiersin.org
… Our modeling and docking data were in accordance with our metabolism analyses. Some …
In our study, isoprocarb and cyhalothrin were docked into the predicted active site pocket and …
In our study, isoprocarb and cyhalothrin were docked into the predicted active site pocket and …
A Single Nucleotide Polymorphism Translates into a Radical Amino Acid Substitution at the Ligand-Binding Site in Fasciola hepatica Carboxylesterase B
E Miranda-Miranda, S Scarcella, E Reynaud… - Genes, 2022 - mdpi.com
… of these enzymes, identified as carboxylesterase B (CestB), … and different ligand-docking
modeling results. Further … of several livestock species as well as humans [2]. This liver parasite …
modeling results. Further … of several livestock species as well as humans [2]. This liver parasite …
Nucleoside ester prodrug substrate specificity of liver carboxylesterase
CP Landowski, PL Lorenzi, X Song… - Journal of Pharmacology …, 2006 - ASPET
… Computational studies using the human CES1 structure to simulate docking of two amino
acid esters revealed structural insights into potential floxuridine prodrug binding conformations…
acid esters revealed structural insights into potential floxuridine prodrug binding conformations…
… PAE-degrading Esterase(CarEW) for Higher Degradation Efficiency Through Integrated Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation
M Zhou, Y Li - Chemical Research in Chinese Universities, 2022 - Springer
… and respiratory diseases, escalating human health risks through … At present, only
carboxylesterase CarEW from Bacillus can … ) design method modified carboxylesterase …
carboxylesterase CarEW from Bacillus can … ) design method modified carboxylesterase …