Synthesis, antitumor activity, antimicrobial evaluation and molecular docking studies of some hydrazone, 1,3,4-oxadiazole, 1,2,4-triazole and pyrazole derivatives bearing nicotinoyl moiety

In this study, we synthesized a number of new intriguing azoles bearing nicotinoyl moiety, their antimicrobial and antitumor activities were investigated as well. We succeeded to prepare sequence of hydrazones 2,4, 1,3,4-oxadiazoles 5, 6, 11, 12, 1,2,4-triazole 8, pyrazoles 9, 10, 13, 14, 16, 18, 20, 22, 25 and pyrazolo[3,4-d]pyrimidines 15, 23, and 24. Most of the synthesized compounds were tested against strains of fungus and bacteria. Some compounds that demonstrated significant biological activity were selected to test for their activity against cancer cells. It is interesting to note that, some of the tested compounds showed moderate to potent antibacterial activity. Strong antibacterial activity was demonstrated by compounds 16 and 23 (MIC = 2.5-5 mu g/mL) against most of the microorganisms. Compounds 24 and 4a demonstrated a reasonable response to the microorganisms. Compound 2 explained a weak activity towards one of the tested microorganisms. Also, it was found that at a given concentration (3.16 mu g/mL) the amino nitrile 9 exhibited strong cell-growth inhibiting action (>50 %). Based on these findings, compound 9 and 23 seems like good lead candidates to investigate further as potential anticancer and antibacterial agent respectively.