Synthesis, molecular docking and biological evaluation of new thiazolopyrimidine carboxylates as potential antidiabetic and antibacterial agents Iram Batool 1 • Aamer Saeed 1 • Irfan Zia Qureshi 2 • Saima Kalsoom 1 • Ayesha Razzaq 2 Received: 19 February 2015 / Accepted: 24 April 2015 Ó Springer Science+Business Media Dordrecht 2015 Abstract A series of new thiazolopyrimidine analogues were conveniently syn- thesized by one-pot multicomponent condensation reaction of ethyl acetoacetate, 2-aminothiazole and benzaldehyde substituted with different electron-donating and electron-withdrawing groups, in order to find some more potent antidiabetic and antibacterial drugs. The structures of the synthesized compounds were assigned based on elemental analyses and spectral data. An in vitro effect on total serum concentration of glucose, cholesterol and triglycerides was evaluated in adult male BALB/c mice, compared to two standard drugs ‘‘alloxan’’ and ‘‘glibenclamide,’’ and good results were observed with the presence of –Cl and –Br groups at the para position of the phenyl ring. The antibacterial activities were tested against five bacterial strains, Micrococcus luteus, Salmonella typhimurium, Bacillus subtilis, Bordetella bronchiseptica and Escherichia coli. Most of the compounds showed good to excellent bacterial zone inhibition compared to the reference drug ‘‘kana- mycin.’’ An in silico molecular docking was also performed on synthesized com- pounds to support the experimental findings, which were in good agreement with computational results. The current study is expected to provide useful insights into the design of antidiabetic and antibacterial drugs, and understanding the mechanism by which such drugs interact with RNA and diabetes targets and exert their bio- chemical action. Keywords Thiazolopyrimidine Á Antidiabetic Á MOE docking & Aamer Saeed asaeed@qau.edu.pk; aamersaeed@yahoo.com Iram Batool iram_batool_qau@yahoo.com 1 Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan 2 Department of Animal Science, Quaid-i-Azam University, Islamabad 45320, Pakistan 123 Res Chem Intermed DOI 10.1007/s11164-015-2078-2