Molecular docking, photocatalytic activity and biomedical investigations of some metal complexes.

Journal of Biomolecular Structure & Dynamics
Liji JohnI Hubert Joe

Abstract

Metal(II)-(furfural-L-his) complexes with a potentially bidentate furfural-L-his have been synthesized. Furfural-L-his and its Co/Ni/Cu/Zn(II)-(furfural-L-his) complexes have been optimized by DFT. The structural features were determined from their elemental analyses, molar conductance, magnetic, UV-Vis, IR, mass, 1H NMR and EPR spectral studies. On the basis of electronic spectral data and magnetic measurements, suitable geometry has been proposed for each complex. The redox behaviour of Cu(II)-(furfural-L-his) complex has been studied by cyclic voltammetry. Thermal decomposition profiles are consistent with the proposed formulation of Co/Ni/Cu/Zn(II)-(furfural-L-his) complexes. PXRD studies reveal that furfural-L-his and Zn(II)-(furfural-L-his) complex are of nanomeric structure. SEM images of furfural-L-his exhibit flake-like morphology. Photodegradation of methylene blue dye indicates that they are photocatalyticaly efficient. NBO and NPA shown considerable reduction in the formal charge on metal ions. Docking analysis with EGFR and cyclooxygenase-2 receptor has been performed to find the best binding energy. Antimicrobial, antioxidant and anti-inflammatory activity against standard at variable concentrations revealed that ...Continue Reading

References

Mar 1, 1968·The Journal of Pharmacy and Pharmacology·Y Mizushima, M Kobayashi
Dec 26, 2001·Chemical Reviews·C Orvig, M J Abrams
Dec 26, 2001·Chemical Reviews·M J ClarkeD R Frasca
Aug 28, 2002·The Journal of Biological Chemistry·Jennifer StamosCharles Eigenbrot
Nov 11, 2003·Inorganic Chemistry·Patrick DeschampsBibudhendra Sarkar
Jun 16, 2005·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Gehad G MohamedAhmed M M Hindy
Nov 10, 2007·Dalton Transactions : an International Journal of Inorganic Chemistry·Trevor W Hambley
Feb 10, 2009·Anti-cancer Agents in Medicinal Chemistry·Cristina MarzanoCarlo Santini
Apr 29, 2009·Journal of Computational Chemistry·Garrett M MorrisArthur J Olson
Jul 2, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Nial J WheateRabbab Oun
Sep 18, 2010·Current Medicinal Chemistry·L Ruiz-Azuara, M E Bravo-Gómez
Sep 19, 2014·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·N B Gopal ReddyNagaraju Kottam
Jul 12, 2011·Journal of Chemical Theory and Computation·Anant D Kulkarni, Donald G Truhlar
Feb 16, 2018·Scientific Reports·Kavitha AndiappanDhanasekaran Vikraman
Feb 16, 2019·Journal of Biomolecular Structure & Dynamics·Porkodi JeyaramanRaman Natarajan
Aug 15, 2019·Journal of Biomolecular Structure & Dynamics·Noor UddinAli Haider
Jun 4, 2020·Journal of Biomolecular Structure & Dynamics·Jijo Johnson, C Justin Dhanaraj

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Methods Mentioned

BETA
NMR
X-ray
ESR

Software Mentioned

Elementar Vario EL
NBO
Gaussian
AutoDock
PyMOL

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