… esters by human carboxylesterase hCES1. The study involves both docking analyses of
known substrates to develop predictive models, and molecular dynamics (MD) simulations to …

… In our search for natural human carboxylesterase 2 (hCE 2) inhibitors from natural products,
we … Furthermore, molecular docking was conducted for investigating mechanisms of …

… human carboxylesterase 2 (human CES 2) inhibitors from traditional Chinese medicine, we
found that the extract of Alisma orientale significantly inhibited human … against human CES 2 …

… esters by human carboxylesterase hCES2. The study involved first a homology modeling of
the … taken from the literature; the ligands were docked in both their neutral and ionized forms …

… Human carboxylesterases (hCEs) are classified into two subtypes, human carboxylesterase
1 (hCE 1) and human carboxylesterase 2 (hCE 2) (Xin et al., 2018). hCE 1 is abundantly …

… by the SWISS-MODEL homology-modelling pipeline) for UniProt under the accession
number of O00748 [42]. The whole molecular docking process in this work was performed using …

… Human carboxylesterase 1 (hCE1) is a key enzyme responsible for the hydrolysis of a wide
… Furthermore, docking simulations demonstrated that the binding area of nevadensin on …

… in many countries, while humans may be exposed to these … pyrethroids against two major
human carboxylesterases (CES) … also studied by molecular docking simulation. The results …

In this study, forty-nine kinds of traditional Chinese medicines (TCMs) were evaluated for
their inhibitory activities against human carboxylesterase 2 (HCE 2) using a human liver …

… Human carboxylesterase 2 (CES2A), one of the most abundant hydrolases distributed in
human small … Molecular dynamics simulations showed that glabridin formed strong and stable …