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Background  Various thiourea derivatives have been used as starting materials for compounds with better biological activities. Molecular modeling tools are used to explore their mechanism of action.    Results  A new series of thioureas were synthesized. Fluorinated pyridine derivative  4a  showed the highest antimicrobial activity (with MIC values ranged from 1.95 to 15.63 µg/mL). Interestingly, thiadiazole derivative  4c  and coumarin derivative  4d  exhibited selective antibacterial activities against Gram positive bacteria. Fluorinated pyridine derivative  4a  was the most active against HepG2 with IC50 value of 4.8 μg/mL. Molecular docking was performed on the active site of MK-2 with good results.    Conclusion  Novel compounds were obtained with good anticancer and antibacterial activity especially fluorinated pyridine derivative  4a  and molecular docking study suggest good activity as mitogen activated protein kinase-2 inhibitor.   Graphical abstract   Compound 4a in the active site of MK-2

chemistry central journal

Antimicrobial and anticancer activity of some novel fluorinated thiourea derivatives carrying sulfonamide moieties: synthesis, biological evaluation and molecular docking