Binding mechanism, photo-induced cleavage and computational studies of interaction cefepime drug with Human serum albumin.

The binding interaction of cefepime to human serum albumin (HSA) in aqueous solution was investigated by molecular spectroscopy (UV spectra, fluorescence spectra and CD spectra), photo-cleavage and modeling studies under simulative physiological conditions. Spectrophotometric results are rationalized in terms of a static quenching process and binding constant () and the number of binding sites ( ≈ 1) were calculated using fluorescence quenching approaches at three temperature settings. Thermodynamic data of , and ΔS at different temperatures were evaluated.

DNA binding, pBR322 cleavage and molecular docking studies of 1,2-diaminobenzene, dichloro glycyl glycinate tin(IV) and zirconium(IV) complexes.

design and synthesis of complexes 1,2-diaminobenzene, dichloro glycyl glycinate tin(IV) and zirconium(IV), and as molecular drug entities were carried out. The structure elucidation of and was done by analytical techniques and spectroscopic methods IR, UV-vis, H, C, Sn NMR, ESI-Mass and XRD techniques. DNA binding studies of and by various biophysical techniques electronic absorption, emission spectroscopy and circular dichroism measurements were carried out to evaluate their potential to act as chemotherapeutic candidates; furthermore, cleavage studies with pBR322plasmid DNA and computer-aided molecular docking studies were also done to study the mechanistic pathway and mode of binding at the molecular level.

Synthesis and characterization of copper-based anticancer compound; interaction studies with DNA/HSA, SOD mimetic, cytotoxic activity and molecular docking investigation.

A new copper(II) complex derived from the ligand ethylene [O,O'-bis{5-{(1E)-(2 hydroxyphenyl)methylene]amino} - 2-hydroxybenzoic acid] was designed, synthesized and characterized by spectroscopic (IR, UV-Vis, ESI-MS, X-ray diffraction, EPR and elemental analytical methods interaction studies were carried out with CT DNA, HSA and SOD targets by employing various biophysical methods ., UV-Vis, fluorescence, FTIR (in case of HSA only), circular dichroism and gel electrophoresis. Notably, the copper(II) complex exhibited a high propensity for DNA binding electrostatic mode; The results of fluorescence titration revealed that the copper(II) complex strongly quench the intrinsic fluorescence of HSA through a static quenching procedure.

Interaction and photo-induced cleavage studies of meropenem drug with human serum albumin using spectroscopic and molecular docking investigations.

The interaction between Meropenem drug and human serum albumin (HSA) has been studied under physiological condition in Tris-HCl buffer solution at pH 7.4 by various spectroscopic (UV spectra, fluorescence spectra, CD spectra), Photo-induced HSA cleavage, and molecular docking techniques. The results of fluorescence titration revealed that the Meropenem strongly quench the intrinsic fluorescence of HSA through a static quenching procedure.

Synthesis and characterization of new transition metal {Cu(II), Ni(II) and Co(II)} L-phenylalanine-DACH conjugate complexes: in vitro DNA binding, cleavage and molecular docking studies.

The novel metal-based molecular entities {Cu(II), Ni(II) and Co(II)} 1-3, respectively were synthesized and characterized by elemental analysis and spectroscopic methods (IR, (1)H and (13)C NMR, EPR, UV-vis, ESI-MS and XRPD). The interaction studies of 1-3 with CT DNA have been investigated by UV-vis titrations, fluorescence and circular dichroic studies which revealed the electrostatic mode of binding and on the basis of intrinsic binding constant Kb (5.30×10(4), 1; 3.