Abstract
NEW CARBAMATES OF 1-(4-NITROPHENYL)PIPERAZINE AND BISCARBAMATES OF 6-AMINOINDAZOLE: DESIGN, SYNTHESIS, CHARACTERIZATION, MOLECULAR DOCKING STUDIES AND BIOACTIVITY EVALUATION

Ponne Venkata Chalapathi*, Chamarthi Naga Raju*, Pulluru Hari Babu, Shaik Nayab Rasool, Chintha Venkataramaiah and Wudayagiri Rajendra

ABSTRACT

Two series of new carbamate derivatives of 1-(4-nitrophenyl)piperazine and biscarbamate derivatives of 6- aminoindazole were designed and synthesized in a simple method. The title compounds were characterized by IR, 1H, 13C-NMR, mass spectral data and elemental analysis. The molecules were docked with DNA gyrase A protein of E. coli. The dock scores of 06 compounds suggested that they befitted fast into the DNA gyrase A protein binding site which suggests they could find a place in the next generation antimicrobials. The compounds were screened for their in vitro antibacterial and antifungal activities against the selected pathogens. Two compounds showed very good antifungal activity against C. neoformans than the rest over antibacterial activity. The results also emphasized that the 1-(4-nitrophenyl)piperazine monocarbamates were better antifungals than the corresponding 6-aminoindazole biscarbamates.

Keywords: 1-(4-nitrophenyl)piperazine, 6-aminoindazole, antibacterial activity, antifungal activity, molecular docking.


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