Synthesis of Novel Series of ۱-(۶-Hydroxy-۴-(۱H-indol-۳-yl)-۳,۶-dimethyl- ۴,۵,۶,۷-tetrahydro-۱H-indazol-۵-yl)ethan-۱-oneas Evaluations of their Antimicrobial Activity with Insilco Docking Study

This research study discusses the silico design, synthesis, and biological evaluation of novel effective phenyl, indole, ۳,۴-dimethyl substituted ۴,۵,۶,۷-tetrahydro-۱H-indazole derivatives. The novel multi- substituted indazole derivatives (۵A-۵J) was synthesized from the treatment of hydrazine hydrates in MeOH/H+ with multi substituted clohexanone derivatives (۴a-۴j). The final scaffold was characterized with the help of spectroscopic data such asIR, ۱H NMR, ۱۳C NMR, and mass spectra. The compound ۵A, ۵D, and ۵F shows excellent antibacterial activity and the compounds ۵B, ۵C, ۵H ۵I and ۵J exhibited moderate antibacterial activity against the S. aureus, Bacillus subtilis and E.Coli.  Finally, the molecular docking studies showes that the  compound ۵D and ۵F scaffolds display excellent bonding mode of interactions with the active site of DNA gyrase ۱KZN enzyme.

Keywords:

Dihydro-multi substituted indazole , NH۲-NH۲-H۲O , Ph-NH۲-NH۲ Molecular docking , Antimicrobial activity