A 3D copper (II) coordination polymer based on sulfanilic acid ligand (CP 1) for efficient biomolecular interaction with bovine serum albumin: spectroscopic, molecular modelling and DFT analysis

Abstract

Several biochemical reactions occur during the interaction of metal complexes and proteins due to conformational modifications in the structure of the protein, which provide fundamental knowledge of the effect, mechanism, and transport of many drugs throughout the body. Here, we report the synthesis, identification, and impact of the 3-dimensional Copper(II)sulfanilic acid coordination polymer (CP 1) on interactions with bovine serum albumin (BSA). The CP 1 was synthesized via a simple hot stirring method, and the single crystal XRD confirms the effective bonding interactions between metal and organic ligand, forming a crystalline polymeric chain and the topological study shows the sql type of underlying net topology. Powder XRD, Fourier transform infrared spectroscopy, and thermogravimetric analysis were also performed. Moreover, DFT/B3LYP calculations provide chemical precision for the resulting complex. Further, the changes that occur in the secondary structure of protein when CP 1 binds with BSA as well as its binding capacity were investigated via circular dichroism analysis and spectroscopic methods such as UV-absorption spectroscopy and fluorescence spectroscopy, respectively. The CP 1/BSA complex melting point was also measured, and its temperature-dependent heat denaturation was studied along with molecular docking.

Communicated by Ramaswamy H. Sarma

Keywords:

• Coordination complex
• Copper(II)sulfanilic acid
• protein binding
• bovine serum albumin
• binding sites

Acknowledgements

The authors are grateful to the Aligarh Muslim University’s Synthetic & Functional Material Research Laboratory of the Department of Applied Chemistry, F/O Engineering & Technology, and the CIF of Department of Biochemistry, F/O Life Sciences, for giving laboratory facilities for the synthesis and application, respectively. We appreciate this University’s Central Instrumentation Facility for characterization and the Department of Physics for DFT. UGC-Startup Fellowship, India, financially aided this research.

Disclosure statement

Shama Firdaus, Mohd Amir, Aiman Ahmad, Arif Ali, Mohammad Jane Alam, Sumra Dilshad, Saleem Javed, Musheer Ahmad declare that they have no conflicts of interests.

Compliance with ethics guidelines

This manuscript does not contain any studies with human or animal subjects by the any of the authors.

Authorship contribution statement

Shama Firdaus: Conceptualization, Investigation, Methodology, Data curation, Formal analysis, Writing - original draft. Mohd Amir: Investigation, data curation, Write-up. Arif Ali: Visualization, Software. Jane Alam: Computational data curation; Sumra Dilshad: Review & editing. Saleem Javed: laboratory facilities, validation. Musheer Ahmad: Crystal structure refinement and validation. Aiman Ahmad: Supervision, Validation, review & editing.

Correction Statement

This article has been corrected with minor changes. These changes do not impact the academic content of the article.

Additional information

Funding

Authors acknowledge Department of Applied Chemistry, ZHCET, Aligarh Muslim University, Aligarh for financial assistance. M. A. and A. A. gratefully acknowledges start-up grant from the UGC, TEQIP-III, ZHCET, Aligarh Muslim University Aligarh.