Docking assisted DNA-binding, biological screening, and nuclease activity of copper complexes derived from sulfonamides

Abstract

Copper(II) complexes of sulfonamides have found importance in biological and pharmaceutical systems. This study focuses on copper(II) complexes that were synthesized by precipitation method. The spectroscopic characterization was done by different techniques like FT-IR, UV–Vis, and ESI-MS. Compound 6 [Cu(L₂)]₂·2DMSO [HL = 4-((naphthalene-1-sulfonamido)methyl)cyclohexanecarboxylic acid] was recrystallized from DMSO, and its structure was determined by single-crystal X-ray diffraction to confirm the results of the synthesis of series of compounds. The geometry around each Cu(II) is tetrahedral bipyramidal with monodentate DMSO at the apical and bidentate carboxylates in the equatorial positions and a Cu–Cu bond. The synthetic compounds were screened for their biological applications involving antibacterial (Escherichia coli [E.C], Staphylococcus aureus [S.A], Sheigella sonnei [S.S], Bacillus subtilis [B.S], Nesseria gonorrhoeae [N.G], and Chromohalobacter israelensis [C.I]), antifungal (Aspergillus niger [A.N] and Neurospora crassa [N.C]), enzyme inhibition (acetylcholinesterase [AChE] and butyrylcholinesterase [BChE]), and antioxidant study. Furthermore, molecular docking study of all compounds was performed against enzymes and DNA using AutoDock Tools version 1.5.6. After confirmation of DNA-interaction through docking studies, nuclease activity was performed using agarose gel electrophoresis method and all compounds have been found to cleave DNA. These results concluded that copper complexes of sulfonamide may be good induction in the future for medical purposes.

Graphical Abstract

Keywords:

• Cu(II) complexes
• crystal structure
• biological activities
• molecular docking
• DNA cleavage

Acknowledgments

We are thankful to Higher Education Commission (HEC) of Pakistan for funding this work under Project No. 20-2549/NRPU/R&D/HEC/12.

Disclosure statement

The authors declare no conflict of interest.

Additional information

Funding

This work was supported by Higher Education Commission (HEC) of Pakistan under Project No. 20-2549/NRPU/R&D/HEC/12.