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 …
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 …
throughout the body that catalyze the hydrolysis of esters, amides, thioesters, and …
Latest developments in molecular docking: 2010–2011 in review
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 …
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
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 …
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
Drug discovery and development is a high-risk enterprise that requires significant
investments in capital, time and scientific expertise. The studies of xenobiotic metabolism …
investments in capital, time and scientific expertise. The studies of xenobiotic metabolism …
Human carboxylesterases and fluorescent probes to image their activity in live cells
Human carboxylesterases (CESs) are serine hydrolases that are responsible for the phase I
metabolism of an assortment of ester, amide, thioester, carbonate, and carbamate …
metabolism of an assortment of ester, amide, thioester, carbonate, and carbamate …
Toxicological Evaluation of SiO2 Nanoparticles by Zebrafish Embryo Toxicity Test
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 …
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
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 …
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
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 …
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
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 …
range of chemicals and show large inter-individual variability in vitro. An extensive literature …