DOCKING POTENTIAL OF SOME N-SUBSTITUTED-DIARYL-PYRAZOLINE ANALOGUES TOWARDS THE COX-2 ENZYME
Abstract
Some N-substituted-diaryl-pyrazoline analogues were investigated insilico for their docking potential towards the Cyclooxygenase (COX)-2 enzyme. The compounds were designed on the basis of rational selection & the PDB entry 1CX2 from RCSB Protein Data Bank was used for mimicking COX-2 binding sites. The Compound (E)-3-(4-(dimethylamino)phenyl)-1-(5-(4-(dimethylamino)phenyl)-3-(4-hydroxyphenyl)-4,5 dihydropyrazol-1-yl)prop-2-en-1-one (E5) was found to possess strong binding potential along with two H-bond. The H-bond with Tyr-355 residue suggests desired COX-2 inhibitory potential of compound E5.
DOI
https://doi.org/10.22270/jddt.v7i7.1602References
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