Flavonoids as human carboxylesterase 2 inhibitors: Inhibition potentials and molecular docking simulations

SS Song, CP Sun, JJ Zhou, L Chu - International journal of biological …, 2019 - Elsevier
… In our search for natural human carboxylesterase 2 (hCE 2) inhibitors from natural products,
we … Furthermore, molecular docking was conducted for investigating mechanisms of …

A natural inhibitor from Alisma orientale against human carboxylesterase 2: Kinetics, circular dichroism spectroscopic analysis, and docking simulation

J Yi, R Bai, Y An, TT Liu, JH Liang, XG Tian… - International journal of …, 2019 - Elsevier
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 …

Phytochemical constituents from Uncaria rhynchophylla in human carboxylesterase 2 inhibition: kinetics and interaction mechanism merged with docking simulations

YL Wang, PP Dong, JH Liang, N Li, CP Sun, XG Tian… - Phytomedicine, 2018 - Elsevier
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 …

Characterization and structure-activity relationship studies of flavonoids as inhibitors against human carboxylesterase 2

ZM Weng, GB Ge, TY Dou, P Wang, PK Liu, XH Tian… - Bioorganic …, 2018 - Elsevier
… 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 …

Nevadensin is a naturally occurring selective inhibitor of human carboxylesterase 1

YQ Wang, ZM Weng, TY Dou, J Hou, DD Wang… - International journal of …, 2018 - Elsevier
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 …

Assessment of the inhibitory effects of pyrethroids against human carboxylesterases

W Lei, DD Wang, TY Dou, J Hou, L Feng, H Yin… - Toxicology and Applied …, 2017 - Elsevier
… 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 …

Demethylbellidifolin isolated from Swertia bimaculate against human carboxylesterase 2: Kinetics and interaction mechanism merged with docking simulations

TT Liu, XK Huo, XG Tian, JH Liang, J Yi, XY Zhang… - Bioorganic …, 2019 - Elsevier
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 …

Discovery of a highly specific and efficacious inhibitor of human carboxylesterase 2 by large-scale screening

YQ Song, XQ Guan, ZM Weng, YQ Wang… - International journal of …, 2019 - Elsevier
Human carboxylesterase 2 (CES2A), one of the most abundant hydrolases distributed in
human small … Molecular dynamics simulations showed that glabridin formed strong and stable …

Investigation of the inhibitory effect of protostanes on human carboxylesterase 2 and their interaction: Inhibition kinetics and molecular stimulations

X Lv, R Bai, JK Yan, HL Huang, XK Huo… - International Journal of …, 2021 - Elsevier
… as the specific fluorescent probe for human CES 2. Compounds 1… human CES 2 with the
inhibition constant (K i ) values ranging from 0.89 μM to 2.83 μM. In addition, molecular docking

Discovery of natural alkaloids as potent and selective inhibitors against human carboxylesterase 2

YS Zhao, XK Qian, XQ Guan, PF Song, YQ Song… - Bioorganic …, 2020 - Elsevier
… Molecular docking simulations demonstrated that the potent inhibition of hCES2A by reserpine
could partially be attributed to its strong σ-π and S-π interactions between reserpine and …