TITLE:
Docking Studies, Synthesis, and Evaluation of Antioxidant Activities of N-Alkylated, 1,2,4-Triazole, 1,3,4-Oxa-, and Thiadiazole Containing the Aminopyrazolopyridine Derivatives
AUTHORS:
Yasser K. Abdelmonem, Farag A. El-Essawy, Saeda A. Abou El-Enein, Mona M. El-Sheikh-Amer
KEYWORDS:
Pyrazolopyridine; Biologically Active; Molecular Modeling and Inhibitor
JOURNAL NAME:
International Journal of Organic Chemistry,
Vol.3 No.3,
September
24,
2013
ABSTRACT: Synthesis of some 1,3,4-thia-, oxa-diazol and 1,2,4 triazole incorporated the biologically active and the pyrazolopyri-dine derivative. Molecular modeling and docking of the active compounds into AKR1C3 complexed with its bound inhibitor indomethacin using Molsoft ICM 3.4-8C program were performed in order to predict the affinity and orientation of the synthesized compounds at the active site.