Hydrophobicity‐induced DNA, BSA binding, and biomaterial applications of a heteroleptic Cu(II) complex

Abstract

Herein, we report a new Cu(II) complex [Cu(L)(2,2′‐bipy)](ClO4) obtained from a N,N,O donor Schiff base ligand, 2‐methoxy‐6‐((piperidin‐2‐ylmethylimino)methyl)phenol (HL), and 2,2′‐bipyridine. The title complex has been characterized using FTIR, electronic (UV–Vis), electrospray ionization mass spectrometry (ESI‐MS), and single‐crystal X‐ray studies. The crystallographic studies support the chemical formula, [Cu(L)(2,2′‐bipy)](ClO4), where the metal is coordinated by the deprotonated ligand L through N,N,O atoms and by a 2,2′‐bipy molecule chelating through the N donors. Thus, the studied complex attains penta‐coordinated distorted square pyramidal geometry with ON4 atomic environment. The existence of various non‐covalent interactions such as van der Waals, hydrogen bonding, and hydrophobic interactions that are very common in protein–small molecule interaction has been identified in the present complex from Hirshfeld surface analysis. This has provoked us to examine the nature of interactions of the studied complex with DNA and BSA protein by combined theoretical and experimental approaches. The experimental results reveal the strong binding ability of the complex to CT‐DNA by the mode of partial intercalation and to BSA by the hydrophobic manner. Apart from this, the molecular docking methodology that is used as theoretical tool in the present study also supports the binding ability and binding site of the complex inside the DNA and BSA protein. Moreover, cytotoxicity of the complex has been checked against SiHa cancer cell representing the biocompatibility of the complex and signifying its use as biomaterial transplant.

Copper(II) Complexes with 2,2′:6′,2″-Terpyridine Derivatives Displaying Dimeric Dichloro−μ–Bridged Crystal Structure: Biological Activities from 2D and 3D Tumor Spheroids to In Vivo Models

“…For instance, the binding constant ( K b ) for 2 is 1.23 × 10 7 M –1 using the Stern–Volmer equation, which relates the fluorescence of protein in the absence and presence of the complexes (considering a 1:1 binding). The binding value for the complex 2 is comparable to others already seen in the literature. , Given that BSA is an important transporter of ligands and drugs, these results may indicate that this protein will be able to transport these complexes in the bloodstream until they reach their target.…”

“…The binding value for the complex 2 is comparable to others already seen in the literature. 77,78 Given that BSA is an important transporter of ligands and drugs, these results may indicate that this protein will be able to transport these complexes in the bloodstream until they reach their target. Calf Thymus DNA Binding Studies.…”

Adaptable Biomolecule-Interactive Dual Colorimetric Chemosensor for Cu2+ and Pd2+: Insight from Crystal Structure, Photophysical Investigations, Real-Time Sampling, and Molecular Logic Circuits

“…BSA’s fluorescence intensity steadily dropped with the addition of TABH (59.73% quenching). This hypochromicity is brought on by a conformational change in the Trp microenvironment when more TABH is present . The equilibrium binding constant ( K b ) and accessible receptor sites ( n ) for the probe were also calculated using the Scatchard equation, as given below: log false( F 0 − F false) F = log nobreak0em0.25em⁡ K b + n nobreak0em0.1em⁡ log [ TABH ] …”

Small Molecule Interactions with Biomacromolecules: DNA Binding Interactions of a Manganese(III) Schiff Base Complex with Potential Anticancer Activities

“…Other common side effects include anaphylaxis, cytopenias, etc. 9 So, very recently, developing active anticancer agents 10 based on other transition metal complexes with new mechanisms of action and better efficacy attracts the attention of chemists and biologists. 11 −15 Manganese, the most significant biometal, constitutes the active site of a large number of enzymes displaying a range of biological activities 16,17 including anticancer agents (SC-52608) and MRI contrast reagents [Mn(dpdp)] 4 − (dpdp = dipyridoxyl diphosphate) for the detection of hepatocellular carcinomas.…”