In order to get deeper structural insights into triterpenoid-mediated FXR activation, the most active compounds 2 and 13 were docked into the FXR ligand binding domain.
The most active compounds inhibited HNE activity with IC50 values in the submicromolar range.
After screening the inhibitory activity of our constructed libraries, the most active compounds were synthesized as single molecules.
The hydrogen bonding network and the π π stacking properties could be the key interactions established by the most active compounds that significantly contribute towards their activity profile.
Among four compounds, most active compounds 6b and 6j inhibited the RT activity with IC50 8.12 and 5.42 μM respectively.
The most active compounds were investigated for their telomerase inhibition and proapoptotic activities.
Taking into account the preliminary in vitro α-glucosidase inhibition evaluations, the most active compounds (pentacyclic triterpenes) were selected to explain the experimental activities.
Fig. 4 a Binding mode of four most active compounds into the CDK8 active site.
For the most active compounds, the effective concentration (EC50) was calculated by linear regression analysis.
The most active compounds was again the n-hepatne thiourea derivative 3.
Sesquiterpenes, for example, have high MlogP values and are not the most active compounds.
