Design and Synthesis of Novel Pyrimidine/Hexahydroquinazoline-Fused Pyrazolo[3,4-b] Pyridine Derivatives,Their Biological Evaluation and Docking Studies#

摘要

Multicomponent reaction protocol has been developed for the synthesis of novel pyrimidine fused pyrazolo[3,4-b]pyridine derivatives(7a-g)and hexahydroquinazoline fused pyrazolo [3,4-b] pyridine derivatives(8a-i)starting from 3-amino-5-carbethoxy-6-trifluoromethyl pyrazolo[3,4-b] pyridine 5.All the synthesized compounds were evaluated for antibacterial as well as antifungal activities and compounds 7f,8a,8c and 8d exhibited promising antibacterial activity.In particular,compound 2,4,6-trifluoro substituted pyrimidine fused pyrazolo[3,4-b]pyridine(7f)showed very good antibacterial activity against the panel of both Gram-positive and-negative bacterial strains.Hexahydroquinazoline fused pyrazolo[3,4-b]pyridine derivatives(8 f-i)also showed promising antifungal activity and broadspectrum anti-biofilm activity against both Gram-positive and negative bacterial strains.The crystal structure of compound 8b was solved based on single crystal X-ray diffraction study.Docking studies were performed to identify the interactions of the compounds 7f with crtM enzyme of Staphylococcus aureus.