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New bioactive Cu(I) thiourea derivatives with triphenylphosphine; synthesis, structure and molecular docking studies.

Authors :
Hussain, Shazia
Imtiaz-ud-Din
Raheel, Ahmad
Hussain, Shabeeb
Tahir, Muhammad Nawaz
Hussain, Irfan
Source :
Journal of Coordination Chemistry; Apr2020, Vol. 73 Issue 7, p1191-1207, 17p, 10 Diagrams, 4 Charts, 3 Graphs
Publication Year :
2020

Abstract

The synthesized thioureas, 1-(3-fluorobenzoyl))-3-(4-(diethyl aminophenyl) thiourea (I<subscript>1</subscript>), 1-benzoyl-3-(2-chlorophenyl) thiourea (I<subscript>2</subscript>) and 1-(2-fluorobenzoyl)-3-(2-chlorophenyl) thiourea (I<subscript>3</subscript>) along with triphenylphosphine were reacted with Cu(I) chloride in mole ratios 1:2:1 by using dry acetone as solvent under nitrogen to get 1–3. The synthesized thioureas and metal derivatives were characterized by spectroscopic techniques such as IR and multinuclear (<superscript>1</superscript>H, <superscript>13</superscript>C) NMR. Compound 3 is analyzed by single crystal X-ray analysis and data reveal that the Cu is four coordinate having tetrahedral molecular geometry. The interaction of 1–3 with DNA is ascertained by cyclic voltammetry, determining binding constant, binding energy and diffusion coefficient. The findings suggest that the complexes interact with DNA in an electrostatic mode. The antioxidant activity data show that 3 has the highest free radical scavenging ability having Ic<subscript>50</subscript> value of 10 µg/mL. The synthesized compounds were also screened against various bacterial strains and found some encouraging results. The binding interactions of the metal complexes with a specific protein were further validated by molecular docking studies and the results obtained show their strong interaction with amino acid residue in the binding pocket of the target protein. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00958972
Volume :
73
Issue :
7
Database :
Complementary Index
Journal :
Journal of Coordination Chemistry
Publication Type :
Academic Journal
Accession number :
144338074
Full Text :
https://doi.org/10.1080/00958972.2020.1771558