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1. Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies

Author

K. Arun Prasath Lingam, A. Parthiban, M. Surendiran, S. Mangalaraj, and P. Muthukrishnan

Subjects
Materials science, Dopant, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, law.invention, Crystal, Crystallography, law, General Materials Science, Molecular orbital, 0210 nano-technology, Spectroscopy, Electron paramagnetic resonance, Hyperfine structure, Single crystal, Zincate
Abstract

Single crystal electron paramagnetic resonance (EPR), powder X-ray diffraction (XRD), Fourier transform-infrared (FT-IR) and UV–Visible (UV–Vis) spectroscopy studies of Cu(II) doped in hexaaquazinc(diaquabismalonto)zincate (HZDMZ) have been investigated at room temperature. Angular variation of copper hyperfine lines in the three orthogonal planes shows the presence of a single site in substitutional position, with spin Hamiltonian parameters calculated from EPR spectra are gxx = 2.3940; gyy = 2.0919; g-zz = 2.0700; A–xx = 13.85 mT; Ayy = 1.79 mT; Azz = 1.39 mT. Molecular orbital coefficients β2 = 0.765 and e2 = 0.275 have been calculated, which reveal a moderately covalent metal–ligand bond. Optical and EPR data have been collaborated to obtain crystal field parameters, admixture and molecular orbital coefficients. Powder XRD, FT-IR and UV–Vis data confirms the structure of host complex and presence of the dopant.

Published
2020
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2. Synthesis and biological evaluation of isoindoloisoquinolinone, pyroloisoquinolinone and benzoquinazolinone derivatives as poly(ADP-ribose) polymerase-1 inhibitors.

Author

Suyavaran A, Ramamurthy C, Mareeswaran R, Shanthi YV, Selvakumar J, Mangalaraj S, Kumar MS, Ramanathan CR, and Thirunavukkarasu C

Subjects
Animals, Chickens, Drug Design, Enzyme Inhibitors chemistry, Indoles chemical synthesis, Indoles chemistry, Indoles pharmacology, Isoquinolines chemical synthesis, Isoquinolines chemistry, Isoquinolines pharmacology, Poly(ADP-ribose) Polymerases chemistry, Protein Binding, Protein Conformation, Quinazolinones chemistry, Structure-Activity Relationship, Enzyme Inhibitors chemical synthesis, Enzyme Inhibitors pharmacology, Oxidative Stress drug effects, Poly(ADP-ribose) Polymerase Inhibitors, Quinazolinones chemical synthesis, Quinazolinones pharmacology
Abstract

A series of novel fused isoquinolinones with isoindoloisoquinolinone, pyroloisoquinolinone, and benzoquinalizinone skeletons were synthesized from corresponding phenethylimides. The isoquinolinone derivatives were evaluated for their protective effect on chicken erythrocytes subjected to oxidative damage. The effect of isoquinolinone derivatives were analysed by estimation of cell viability, antioxidant enzyme activities, DNA damage (comet assay), PARP-1 inhibition assay and molecular docking of the compounds with PARP-1 active site. The compounds CRR-271, CRR-288 and CRR-224+225 showed significant protective effect at 100 μM concentration. The PARP-1 inhibition assay revealed the IC50 values of CRR-271, CRR-288 and CRR-224+225 as <200 nM, further molecular docking studies shows higher binding energies with PARP-1 active site. Interesting findings in this study suggest that the novel isoquinolinone derivatives inhibit PARP-1 activity and protect cells against oxidative DNA damage, which could be implemented in the treatment of inflammatory diseases., (Copyright © 2014 Elsevier Ltd. All rights reserved.)

Published
2015
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