Chemosensing, molecular docking and antioxidant studies of 8-aminoquinoline appended acylthiourea derivatives

Abstract Acylthiourea derivatives, 1-benzoyl-3-(quinolin-8-yl)thiourea ( 1 ), 1-(furan-2-carbonyl)-3-(quinolin-8-yl)thiourea ( 2 ) and 1-(thiophene-2-carbonyl)-3-(quinolin-8-yl)thiourea ( 3 ) were synthesized and well characterized by using NMR ( 1 H and 13 C), FT-IR, UV–visible and mass spectroscopy tools. The molecular structures of compounds 1 and 3 were confirmed by single crystal X-ray crystallography. The fluorescence emission of the compounds ( 1 – 3 ) was studied using fluorescence spectrophotometer. The sensing ability of the acylthiourea derivatives was analyzed by colorimetric, UV–visible and fluorescence titrations. In silico anti-inflammatory, antimalarial and anti-tuberculosis activities were investigated using molecular docking studies. Acylthiourea derivatives also possessed good antioxidant activity.