Sentence examples for binding orientation for the from inspiring English sources

Molecular docking study of potent compounds in the series showed Gscore comparable to celecoxib with similar binding orientation for the COX-2 active site which also corroborates the observed in vitro COX-2 inhibition.

This observation suggests a slightly different binding orientation for the 6-amino and 6-oxo derivatives, as previously reported for substrates of the UapA nucleobase transporter of Aspergillus nidulans (33, 34).

We also performed docking experiments on Reactive Blue 2 and myricetin; however, it was impossible to arrive at preferred binding orientations for these two compounds likely due to their structural features.

This reaction requires a specific orientation of AA within the active site, but an alternative crystallographic binding orientation for AA also exists.

A single dominant binding orientation causes the high affinity for neonicotinoids at the insect nAChR homologue.

Molecular docking simulations were carried out and these studies suggested a different binding orientation inside the CDK2 binding pocket for these analogues compared to flavopiridol.

Molecular modeling study, including fitting to a 3D-pharmacophore model, docking into cyclin dependant kinase2 (CDK2) active site and binding energy calculations were carried out and these studies suggested the same binding orientation inside the CDK2 binding pocket for these analogs compared to ATP.

Data indicate that the driving force for the inverted binding orientation is the occurrence of a steric clash between the bulky halogen of position 7 and the kinase hinge.

Thus, the narrow bithiazole binding groove in BlmB does not prevent the correct binding orientation necessary for acetylation to occur in thiazolinyl-thiazole analogues.

The orientation of the sgRNAs determines the binding orientation of Cas9 on the target DNA.

26 These relationships are based on the distance between two (most often aromatic) residues in the active site, which are important for substrate binding and suitable orientation for the trans-hydrogenation reaction (Scheme 1).