Sentence examples for by molecular docking studies from inspiring English sources

The agonist activity of PPARα exhibited by compound 5d was examined by molecular docking studies.

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.

The identified conserved motif was also validated for its activity as conserved core region of operator sequence of corresponding TA system by molecular docking studies.

The ICM score values show good agreement with predicted binding affinities obtained by molecular docking studies as verified by pharmacological screening.

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.