Sentence examples for compound to interact from inspiring English sources

A pharmacophore is a spatial arrangement of features that allows a compound to interact with a target receptor at a specific binding mode.

Inverse Virtual Screening (IVS) is a docking based approach aimed to the evaluation of the virtual ability of a single compound to interact with a library of proteins.

The ability of this compound to interact with the AChE peripheral binding site was confirmed by kinetic studies and by molecular modeling investigation.

Thus, in silico models for the prediction of the probability of a compound to interact with P-gp or analogous transporters are of high value in the early phase of the drug discovery process.

Sequence and structural analysis of the SH2 domains of Stat3 and Stat1 revealed that the ability of the compound to interact with the hydrophobic binding site was the basis for selectivity.

Thus, computer modeling indicated that activity of a compound against Stat3 derives from its ability to interact with the binding sites for the pY and the +3 residues within the binding pocket, while selectivity for Stat3 vs. Stat1 derives from the ability of a compound to interact with the hydrophobic binding site, which served as a selectivity filter.

Fischer et al. [ 85] and Luo et al. [ 86] used this so-called capture compound MS approach which involves binding of a small reactive molecule (e.g., a druglike compound) to interacting proteins followed by covalent reaction (e.g., after photoactivation) with the binding proteins.

Based on the estimated abilities of the compounds to interact with their environment, the relationship between specific interactions and the selected structural properties, which are related to ADMETox parameters, were investigated.

This treatment of solvation effects assumes attractive solute-solvent interactions and enables the ability of the investigated compounds to interact with surrounding media to be estimated.

To gauge the potential of these amine-containing compounds to interact with Kme regulatory proteins, the compounds were screened against a panel of 24 protein methyltransferases.

It is important to investigate the ability of our compounds to interact with COX-2 using a binding mode more similar to the one of naproxen as the one of indomethacin.