Highly functionalized pyranopyrazoles: synthesis, antimicrobial activity, simulation studies and their structure activity relationships (SARs)

Development of potent antibacterial and antifungal agents is a permanently new and unremitting investigation in the therapeutic field. Still, medicinal research wants to find the best antimicrobial agent. To attain this goal , here, the present work synthesis, simulation, and antimicrobial studies of pyranopyrazole derivatives were discussed. Among the reported compounds, 4b has dominant antimicrobial activity that was due to its higher dipole moment. Also, this compound has the most hydrophilic nature and low Eg value. Besides, compound 4e has the next higher dipole moment, hydrophilic property and efficient biological activity. The rationale of these results explained that the comparison of electronic results with biological data is the better way to find the potent pharmaceutical drug compounds.