A MOLECULAR DOCKING STUDY AND EFFECTIVE FOUR-COMPONENT ONE-POT SYNTHESIS OF BIS N-FORMYL PYRAZOLINE-1,2,3-TRIAZOLYL HYBRIDS AS POTENTIAL MRSA INHIBITORS
Bis-Triazole and pyrazoline nucleus serve as key structural components present in many of the pharmaceuticallyactive compounds. Biological evaluation: The good bioactivity shown by the hybrid molecules having Bis-triazoleand pyrazoline nucleus prompts the need for new hybrid drug discovery platform. With this background, hereinwereport the synthesis of a spin-offs of novel bis N- formyl pyrazoline-1,2,3-triazolyl mixtures have been synthesizedin excellent yields with quick reaction time (89-94%) at ambient temperature through one pot solvent free greener protocol. Synthesized N-formal (8j, 8h) and N-acetyl (8m, 8n) triazolyl organic hybrids were further identifiedthrough molecular docking analysis. All the four identified compounds were good inhibitors of MRSA. The higher the electron withdrawing substituents in N-Acetyl (8m) and N-formyl (8h) hybrid, larger the binding energy valueobserved (Table 1). Therefore, the Organic ligand 8h and 8m can be considered as a high attractive future potent inhibitor for the preparation of broad-spectrum antibacterial active compounds.
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