Sentence examples for bonding interaction with the from inspiring English sources

Also, C2-H of [Cnmim]+ could easily participate in hydrogen bonding interaction with the carboxylic moiety of protein molecules.

For every unsubstituted aromatic atom in a ligand the tool determines whether halogenation leads to a favorable halogen bonding interaction with the binding site.

The carbonyl of pyrimidine moiety engaged in hydrogen bonding interaction with the NH of KCX219 and Arg338 at a distance of 2.71 and 2.35 Å, respectively.

The sugar hydroxyl group at the C3 position in linear (4a) as well as cyclic glycopeptide (6a), shows hydrogen bonding interaction with the enzymatic Asp25/Asp25′ residues in docking studies.

Molecular docking attributed their good VEGFR-2 inhibitory activity to their hydrogen bonding interaction with the key amino acids in VEGFR-2 active site, Glu885 and Asp1046, and their hydrophobic interaction by their 2-furylbenzimidazole moiety with the allosteric hydrophobic back pocket in a type III inhibitors-like binding mode.

A molecular modeling (docking) study showed that the p-MeSO2NH group present in (Z -8d inserts deep inside the 2°-pocket of the COX-2 binding site, it undergoes a hydrophobic interaction with Ala516 and Gly519, and one of the O-atoms of the MeSO2 group participates in a weak hydrogen bonding interaction with the NH2 of Arg513 (distance = 3.85 Å).

Proteolytic activation of structural proteins maximizes the potential for bonding interactions with other proteins and with the surface.

5d has maximum binding affinity of −9.8 kcal/mole due to maximum number of hydrogen bonding interactions with the target.

Particularly, the isosorbide-derived P2 ligand is involved in strong hydrogen bonding interactions with the backbone atoms.

It was assumed that these pharmacophoric groups are involved in strong hydrogen bonding interactions with the respective steroid receptors.

The maximum at 3,313 cm−1 is assigned to the N-H groups which were involved in hydrogen bonding interactions with the surface hydroxyl groups.