Sentence examples for binding pocket of human from inspiring English sources

West D, Kim CU, Tu C, Gordon J , Robbins AH Gruner SM, Silverman DN, McKenna R, "Structural and kinetic effects on changes in the CO2 binding pocket of human carbonic anhydrase II," Biochemistry 51, 9156-9163 (2012).

In order to investigate issues of selectivity and specificity in protein ligand interactions, we have undertaken the reconstruction of the binding pocket of human factor Xa in the structurally related rat trypsin by site-directed mutagenesis.

Using a scaleable, directed library approach based on orthogonally protected advanced intermediates, we have prepared a series of potent keto-1,2,4-oxadiazoles designed to explore the P2 binding pocket of human mast cell tryptase, while building in a high degree of selectivity over human trypsin and other serine proteases.

We have applied simulated annealing of chemical potential (SACP) to a diverse set of ∼150 very small molecules to provide insights into new interactions in the binding pocket of human renin, a historically difficult target for which to find low molecular weight (MW) inhibitors with good bioavailability.

The molecular docking study of quinazoline 2 into the binding pocket of human cyclin-dependent kinase 2 enzyme revealed two interactions; arene-cation interaction with bond length of 3.78 Å and binding energy of −2.9 (kcal/mol) and hydrogen bond acceptor interaction with bond length of 3.59 Å and binding energy of −1.5 (kcal/mol) with Lys129.

As expected after primary structure analysis, the residues lining the ligand binding pocket of human ERs and zebrafish ERs are very conserved with the few pointed exceptions and are organized in a similar 3D configuration.

Given that NAD+ does not contain the 2'phosphate group, we postulate that the insertion of the two positively charged residues may restrict the adenosine-binding pocket of human SSADH to bind NAD+ rather than NADP+.

Supporting our biochemical results of FAK as a critical target for reversine, molecular modeling also revealed that reversine docks in the ATP-binding pocket of human FAK and interacts with an important gatekeeper residue, M499.

We simulated the docking of reversine with the ATP-binding pocket of human FAK, which revealed that reversine has the potential to interact with the hydrophobic binding pocket formed by residues M499, V436 and V484, where M499 is an important gatekeeper residue.

Alignment study of docked quinazoline 3 into the active binding pocket of the human cyclin-dependent kinase 2 enzyme (Fig. 5c) revealed arene-hydrogen interaction with bond length of 4.23 Å and binding energy of −0.6 (kcal/mol) with Ile10.

The docking study of the docked compound 3 into the active binding pocket of the human gamma-aminobutyric acid receptor showed arene-hydrogen interaction with bond length of 4.07 Å with binding energy of −3.2 kcal/mol with Thr202 of the receptor (Fig. 7c).