POM analyses and evaluation of in vitro antimicrobial, antitumor activity of 4H-pyrimido[2,1-b]benzothiazole derivatives

Abstract

A facile, efficient, and convenient synthesis of 4H-pyrimido[2,1-b]benzothiazole derivatives is described using aromatic aldehydes, ethyl acetoacetate, and 2-amino benzothiazole in the presence of l-proline under solvent-free conditions. Present methodology has advantages such as short reaction time, no side products, and easy to work up. Synthesized library compounds have been evaluated for their antitumor and antimicrobial activity. Further, we have compared the experimental work with theoretical parameters using molecular property analysis to develop new ideas about the preparation of pyrimido benzothiazole derivatives for their possible application against cancer and chronic microbial diseases. It has been concluded that Petra/osiris/molinspiration (POM) analyses might prove to be a suitable method to correlate the structural features of 4H-pyrimido[2,1-b]benzothiazole derivatives with their promising combined antimicrobial/antitumor activity and may contribute to the development of novel antimicrobial and antitumor agents against drug resistance.