Beware of docking!

YC Chen - Trends in pharmacological sciences, 2015 - cell.com
Docking is now routine in virtual screening or lead optimization for drug screening and
design. The number of papers related to docking has dramatically increased over the past …

The role of human carboxylesterases in drug metabolism: have we overlooked their importance?

S Casey Laizure, V Herring, Z Hu… - … : The Journal of …, 2013 - Wiley Online Library
Carboxylesterases are a multigene family of mammalian enzymes widely distributed
throughout the body that catalyze the hydrolysis of esters, amides, thioesters, and …

Latest developments in molecular docking: 2010–2011 in review

E Yuriev, PA Ramsland - Journal of Molecular Recognition, 2013 - Wiley Online Library
The aim of docking is to accurately predict the structure of a ligand within the constraints of a
receptor binding site and to correctly estimate the strength of binding. We discuss, in detail …

Recommended nomenclature for five mammalian carboxylesterase gene families: human, mouse, and rat genes and proteins

RS Holmes, MW Wright, SJF Laulederkind, LA Cox… - Mammalian …, 2010 - Springer
Mammalian carboxylesterase (CES or Ces) genes encode enzymes that participate in
xenobiotic, drug, and lipid metabolism in the body and are members of at least five gene …

Antihypertensive drugs metabolism: an update to pharmacokinetic profiles and computational approaches

A Zisaki, L Miskovic… - Current pharmaceutical …, 2015 - ingentaconnect.com
Drug discovery and development is a high-risk enterprise that requires significant
investments in capital, time and scientific expertise. The studies of xenobiotic metabolism …

Human carboxylesterases and fluorescent probes to image their activity in live cells

A Singh, M Gao, MW Beck - RSC Medicinal Chemistry, 2021 - pubs.rsc.org
Human carboxylesterases (CESs) are serine hydrolases that are responsible for the phase I
metabolism of an assortment of ester, amide, thioester, carbonate, and carbamate …

Toxicological Evaluation of SiO2 Nanoparticles by Zebrafish Embryo Toxicity Test

S Vranic, Y Shimada, S Ichihara, M Kimata… - International journal of …, 2019 - mdpi.com
As the use of nanoparticles (NPs) is increasing, the potential toxicity and behavior of NPs in
living systems need to be better understood. Our goal was to evaluate the developmental …

A review on computational software tools for drug design and discovery

JR Patel, HV Joshi, UA Shah, JK Patel - Indo Global Journal of …, 2022 - igjps.com
In the current era of modern drug design & development via computer-aided drug design,
the potential role of computational software tools is widely enlarged in use. Computer-based …

[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
Amplex Red is a fluorescent probe that is widely used to detect hydrogen peroxide (H 2 O 2)
in a reaction where it is oxidised to resorufin by horseradish peroxidase (HRP) as a catalyst …

Human variability in carboxylesterases and carboxylesterase-related uncertainty factors for chemical risk assessment

E Di Consiglio, K Darney, FM Buratti, L Turco, S Vichi… - Toxicology Letters, 2021 - Elsevier
Carboxylesterases (CES) are an important class of enzymes involved in the hydrolysis of a
range of chemicals and show large inter-individual variability in vitro. An extensive literature …