Sentence examples for by the docking study from inspiring English sources

The structural considerations of the designed molecules were further supported by the docking study with GlcN-6-P synthase.

The structural considerations of the designed molecules were further supported by the docking study with a long-chain enoyl-acyl carrier protein reductase (InhA).

Among the two conformations of ATP by the docking study, one has been confirmed with a 5 ns MD simulation of GLUT4-ATP complex due to the stability of that pose in the binding site.

The observed activity profiles were further supported by the docking studies performed against estrogen receptors (ERα and ERβ).

Some of the compounds showed promising inhibition of PDE4B when tested in vitro that was supported by the docking studies.

Further support to our results were gained by the docking studies which suggested the ability of compound 15b to bind into COX-2 enzyme with low energy scores.

5b promoted tubulin polymerization and this was supported by the docking studies, wherein 5b showed significant binding affinity at the colchicine binding pocket of tubulin.

Putative binding mode of the significant and least active α-amylase inhibitors with the target enzyme was also explored by the docking studies.

They also inhibited PDE4B in vitro (60 70% at 10 μM) that was supported by the docking studies (PLP score 87 94) in silico.

The consensus scores obtained by the docking studies of the molecules to the target protein enoyl acyl carrier protein reductase of M. tuberculosis H37Rv are in good agreement with the obtained MIC values.

Some of the synthesized compounds showed encouraging PDE4B inhibitory properties in vitro that is >50% inhibition at 30 μM that were supported by the docking studies of these compounds at the active site of PDE4B enzyme (dock scores ∼ −28.6 for a representative compound).