| Title : A natural inhibitor from Alisma orientale against human carboxylesterase 2: Kinetics, circular dichroism spectroscopic analysis, and docking simulation - Yi_2019_Int.J.Biol.Macromol_133_184 |
| Author(s) : Yi J , Bai R , An Y , Liu TT , Liang JH , Tian XG , Huo XK , Feng L , Ning J , Sun CP , Ma XC , Zhang HL |
| Ref : Int J Biol Macromol , 133 :184 , 2019 |
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Abstract :
As a part of our searching for natural human carboxylesterase 2 (human CES 2) inhibitors from traditional Chinese medicine, we found that the extract of Alisma orientale significantly inhibited human CES 2 in vitro. The investigation on A. orientale led to the isolation of a new protostane-type triterpenoid alismanin I (1). Its structure was determined according to HRESIMS, 1D and 2D NMR spectra. Alismanin I (1) displayed significantly inhibitory activity against human CES 2 with IC50 value of 1.31+/-0.09muM assayed by human CES 2-mediated DDAB hydrolysis. According to its inhibition kinetic result, compound 1 was a noncompetitive type inhibitor, and its Ki was 3.65muM. Its inhibitory effect was confirmed in living cell level through a visual manner. The potential interaction mechanism of compound 1 with human CES 2 was also analyzed by circular dichroism (CD) spectrum and molecular docking. |
| PubMedSearch : Yi_2019_Int.J.Biol.Macromol_133_184 |
| PubMedID: 30991064 |
| Substrate | DDAB |
Yi J, Bai R, An Y, Liu TT, Liang JH, Tian XG, Huo XK, Feng L, Ning J, Sun CP, Ma XC, Zhang HL (2019)
A natural inhibitor from Alisma orientale against human carboxylesterase 2: Kinetics, circular dichroism spectroscopic analysis, and docking simulation
Int J Biol Macromol
133 :184
Yi J, Bai R, An Y, Liu TT, Liang JH, Tian XG, Huo XK, Feng L, Ning J, Sun CP, Ma XC, Zhang HL (2019)
Int J Biol Macromol
133 :184