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A series of benzothiazolopyrimidine-thiazole conjugates 7, 8, and 9 were produced through the reactions of 8-acetylbenzothiazolopyrimidine-thiosemicarbazone compound 6 with chloroacetone, (un)substituted phenacyl chlorides, and ethyl chloroacetate, respectively. Based on DFT study, the synthesized conjugates had a twisted shape, except for the parent benzothiazolopyrimidine 5 and its thiosemicarbazone compound 6, which were flat. The study of FMO's also showed that the substituted thiazole derivatives 7 and 8a-c have equivalent configurations of HOMO and LUMO, as well as exhibiting the least FMO's gap (ΔEH-L). The antimicrobic activeness of the constructed derivatives has been assessed against the two Gram's types of bacteria and fungi using the broth microdilution method. The benzothiazolopyrimidine-thiazole conjugate 8c exhibited the strongest inhibition towards Gram-negative E. coli (MIC

Diethyl 2-(((4-methyl-2-oxo-2H-chromen-7-yl)oxy)methylene)malonate (2) was synthesized from coumarin 1 and diethyl ethoxymethylene malonate in ethanol, followed by cyclization in diphenyl ether to give chromene-9-carboxylate (3). Sugar hydrazones 5a-c were formed by reacting hydrazide 4 with D-galactose, D-mannose, and D-xylose, then acetylated to per-O-acetyl derivatives 6a-c. Heating 5a-c with acetic anhydride at 100 °C gave oxadiazolines 7a-c. Compound 8, obtained by refluxing 4 with carbon disulfide, was alkylated to 9 or reacted to give 10. Further reactions yielded acetoxy derivative 13 and hydroxy derivative 14. Compounds 17a-e and 18a-e were synthesized using thiomorpholinophenyl ureido/thioureido-s-triazine. These compounds were characterized and evaluated for antibacterial activity against Gram (+ve) bacteria (B. subtilis, S. aureus) and Gram (-ve) bacteria (E. coli, P. aeruginosa) in addition to yeast-like fungi (C. albicans). Compounds 11, 13, 15, 16, 17c-e, and 18a-e showed the highest antibacterial activity. Molecular docking was performed to study their binding with transpeptidases.

A series of 4-amino-5-substituted-thiophene derivatives 3, 5 and 7, along with their corresponding thieno[3,2-d]pyrimidine compounds 4, 6 and 8, were synthesized and characterized. DFT calculations were utilized to determine frontier orbitals energies. The data showed that the compounds have low HOMO and LUMO energies, where 4-methyl thienopyrimidine 4 and 5 have the lowest values. According to results of antibacterial activity against two distinct strains of Gram positive and negative bacteria through two different concentrations (0.5 and 1.0 mg/mL). Compounds 6 and 8 show (IC50 = 43.53±3.26, 45.64±3.42 and 39.72±2.98, 42.57±3.19 mg/mL) good action toward S. aureus compared to chloramphenicol. Meanwhile, cytotoxic activity for inspected derivatives was evaluated toward three cancer cell lines. The investigated thiophene derivatives 4, 6 and 7 were displayed potent cytotoxic effectiveness (14.53±0.54, 11.17±0.42, 16.76±0.63 μM) against MCF-7 versus 5-fluorouracil as standard drug. In addition, the theoretical study such as molecular docking was stimulated.