Polymer complexes. LXVIII. Spectroscopic studies of supramolecular copper(II) polymeric complexes of biologically active monomer derived from novel sulfa drug

Abstract

The novel ligand N‐[4‐(5‐methylisoxazol‐3‐ylsulfamoyl)phenyl]acrylamide (HL) was prepared via amidation of 4‐amino‐N‐(5‐methylisoxazol‐3‐yl)benzenesulfonamide with acryloyl chloride in benzene as solvent. Polymeric complexes with HL were prepared and characterized using elemental analysis, spectral studies (infrared, mass, UV–visible and electron paramagnetic resonance), powder X‐ray diffraction, thermal analysis, molar conductivity and magnetic susceptibility. Infrared spectral studies reveal that HL behaves as a neutral bidentate ligand. Powder X‐ray diffraction patterns of HL and polymer complexes show many diffraction peaks which indicate polycrystalline phases. Based on magnetic moment and solid reflectance measurements, the polymer complexes have square planar and octahedral geometries. Molecular docking was used to predict the binding between HL and the receptors of 3hb5‐oxidoreductase (breast cancer) and 2q7k‐hormone (prostate cancer).

Polymer complexes. LXXI. Spectroscopic studies, thermal properties, DNA binding and antimicrobial activity of polymer complexes

“…The new additional bands observed with the difference Δυ = 243 cm −1 confirms the monodentate nature of the coordinated two acetate groups. [16] The 1 H NMR spectrum of HL supports the occurrence of the form depicted in Figure S10. The proton NMR spectra of the HL monomer and Cd(II) polymer complex (5) were recorded in DMSO-d 6 using tetramethylsilane (TMS) as the internal standard ( Figure S10(a) and S11(a)).…”

“…The DNA binding study of the monomer and polymer complexes to Calf thymus DNA (CT-DNA) was studied by absorption spectra. [15,16] Electronic absorption spectra are carried out using 1 cm quartz cuvette at room temperature by fixing the concentration of monomer or polymer complexes (1 × 10 −3 mol L −1 ), while progressively increasing the concentration of calf thymus DNA (CT-DNA). The intrinsic binding constant (K b ) of the monomer and polymer complexes with calf thymus DNA was determined.…”

“…The intrinsic binding constant (K b ) of the monomer and polymer complexes with calf thymus DNA was determined. [15,16] The intrinsic binding constant (K b ) of the HL and its polymer complexes is determined by the following equation: [15] DNA…”

“…The molecules were built with the Perkin Elmer ChemBio Draw and optimized using Perkin Elmer ChemBio3D software. [15,16] Docking calculations were carried out on receptors of the androgen receptor prostate cancer mutant H874Y ligand binding domain bound with testosterone and a TIF2 box3 coactivator peptide 740-753 (PDB code: 2Q7L Hormone) and crystal structure of the BRCT repeat region from the breast cancer associated protein, BRCA1 (1JNX Gene regulation). [20][21][22] 3 | RESULTS AND DISCUSSION…”

“…The electronic spectrum exhibits three bands at 22285 cm −1 ( 6 A 1g → 4 A 1g (G), 4 suggest the coordination of acetate group in the monodentate fashion. [16] Various ligand parameters were calculated for the polymer complexes are listed in the Table 4. The value of β indicates the appreciable covalent character of metal sigma "σ" bond.…”