Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2014 Vol: 6 Issue: 8

Synthesis and molecular docking studies of 1-trityl-5-azaindazole derivatives

Abstract

Synthesis of a series of 3-amine/alkoxy substituted-azaindazoles (3a-c, 5a-d) by Ullmann coupling reaction was described. The advantage of this method includes selectivity between chloro and iodo groups to words the coupling of alcohol and amine nucleophiles which occurred only with iodo group. The selectivity was found to be almost 100 % in both amines (2a-c) and alcohols (4a-d) as incoming nucleophiles. All new compounds were subjected to molecular docking study with Murine double minutes-2(MDM2) receptor bind p53 and Pheripheral benzodiazepine receptor (PBR) cancer proteins. The results reveals that the structures 3a-c and 5a-d were shown more number of binding interactions with the active site amino acids such as LEU43, GLN109, ILE141, LYS140, PHE23 and LEU30 in PBR receptor protein with binding energy ranging from -2.579182e+02 to -2.863714e+02 respectively. However, the compound N-(4-methoxybenzyl)-6-chloro-1-trityl-1H-pyrazolo[4,3-c]pyridin-3-amine (3c) alone exhibits very high bonding interaction with active site amino acid GLN72 and HIS73 in MDM2 receptor bind p53 protein which shows binding energy -3.592025e+02 kcal/mol.