Sentence examples for by molecular docking study from inspiring English sources
The results were further investigated by molecular docking study.
Possibly important biological activity of BMMBI molecule was also confirmed by molecular docking study.
Finally, the HDAC8 selectivity of 12a, 12b and 12c was rationalized by molecular docking study.
Besides, SAR is analyzed and a hypothetical enzymatic binding mode is proposed by molecular docking study, which would be useful for new candidates design.
Modeling the ligand receptor complexes by molecular docking study explained the structure activity relationships observed in vitro, which may provide some useful information for future design of new insecticides.
Moreover, the importance of structural features in lead inhibitors such as 26, 30 and 32 along with 33 was further justified by their efficient molecular interactions at the active site of homology modeled protein human N-acyl ethanolamine hydrolyzing acid amidase (hNAAA) as evidenced by molecular docking study.
The ICM score values show good agreement with predicted binding affinities obtained by molecular docking studies as verified by pharmacological screening.
The experimental results were further encouraged by molecular docking studies in order to explore their binding behavior with the active pocket of AChE and BChE enzymes.
Herein we present modifications of pirinixic acid leading to subtype-selective PPARγ agonists and furthermore the development of a selective PPARγ modulator guided by molecular docking studies.
Meropenem binds on the active site of CTX-M-15, hydrogen bonded with four common amino acid residues of cefotaxime binding site, as revealed by molecular docking studies.
