J. Haribabu, G. Subhashree, Sivaraj Saranya
Aug 15, 2015
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Influential Citations
41
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Journal
Journal of Molecular Structure
Abstract
Abstract In the present study, a series of six biologically active substituted acyl thiourea compounds ( 1 – 6 ) has been synthesized from cyclohexanecarbonyl isothiocyanate and various primary amines (2-methyl aniline, aniline, 4-methoxy aniline, 4-ethoxy aniline, benzyl amine and 2-methoxy aniline). The synthesized compounds were characterized by elemental analyses, UV–Visible, FT-IR, 1 H & 13 C NMR and mass spectroscopic techniques. Three dimensional molecular structure of two compounds ( 1 and 5 ) was determined by single crystal X-ray crystallography. All the synthesized compounds show good anti-oxidant and anti-haemolytic activities. In silico molecular docking studies were performed to screen against DprE1 and HSP90 enzymes targeting tuberculosis and cancer respectively.