Unknown

Dataset Information

0

Molecular docking study of conformational polymorph: building block of crystal chemistry.


ABSTRACT: Two conformational polymorphs of novel 2-[2-(3-cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl nicotinonitrile have been developed. The crystal structure of both polymorphs (1a and 1b) seems to be stabilized by weak interactions. A difference was observed in the packing of both polymorphs. Polymorph 1b has a better binding affinity with the cyclooxygenase (COX-2) receptor than the standard (Nimesulide).

SUBMITTER: Dubey R 

PROVIDER: S-EPMC3821945 | biostudies-literature |

REPOSITORIES: biostudies-literature

Similar Datasets

| S-EPMC10015872 | biostudies-literature
| S-EPMC9241005 | biostudies-literature
| S-EPMC8661548 | biostudies-literature
| S-EPMC7059316 | biostudies-literature
| S-EPMC2143983 | biostudies-other
| S-EPMC5627506 | biostudies-literature
| S-EPMC7810140 | biostudies-literature
| S-EPMC5686033 | biostudies-literature
| S-EPMC6332391 | biostudies-literature
| S-EPMC10665016 | biostudies-literature