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 (…

[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 …

[HTML][HTML] Carboxylesterase converts Amplex red to resorufin: Implications for mitochondrial H2O2 release assays

S Miwa, A Treumann, A Bell, G Vistoli, G Nelson… - Free Radical Biology …, 2016 - Elsevier
… 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 …

… library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations

HY Lee, DY Cho, I Ahmad, HM Patel, MJ Kim… - International Journal of …, 2021 - Elsevier
… .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 …

Molecular and functional characterization of three novel carboxylesterases in the detoxification of permethrin in the mosquito, Culex quinquefasciatus

Y Gong, M Li, T Li, N Liu - Insect Science, 2022 - Wiley Online Library
… 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 …

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 …

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 …

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 …

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…

… 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