Bidentate Schiff Base Ligands Appended Metal(II) Complexes as Probes of DNA and Plasma Protein: In Silico Molecular Modelling Studies.

Applied Biochemistry and Biotechnology
Chandrasekhar Vidya RaniGurusamy Rajagopal

Abstract

HL1 and HL2 (HL1 = 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)-phenol; HL2 = 5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)-phenol) are new Schiff base ligands which were prepared along with their metal(II) complexes of [Cu(L1)2] (1), [Cu(L1)2] (2), [Ni(L2)2] (3) and [Ni(L2)2] (4) and characterized by different analytical as well as spectroscopic analyses. The single crystal XRD analysis confirms the proposed structure of ligands such as HL1 and HL2. EPR spectral analysis gives evidence about the tetrahedrally coordinated geometry of complexes 1 and 2. Density functional theory (DFT) analysis was executed using B3LYP/6-31G(d,p)∪LanL2DZ level. The DNA sequence (along with Dickerson's sequence) specificity of complexes 1-4 was evaluated and it has resulted that the complexes 1-4 primarily interact with double helix of DNA via groove mode of binding. From plasma protein docking results, we can say that complexes 2 and 4 showed more binding towards HSA and may have good bioavailability and are prone to act as drug candidates. The observed findings show that these metal(II) complexes 1-4 are better DNA probes, will act as anticancer agents and stimulate strong research focusing on the design of new chemical p...Continue Reading

References

Sep 15, 1988·Physical Review A: General Physics·A D Becke
Sep 9, 2004·Chemical Society Reviews·Pier Giorgio Cozzi
Jan 6, 2006·IUBMB Life·Mauro FasanoPaolo Ascenzi
Oct 19, 2006·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Hakan DalErtan Sahin
Feb 13, 2008·Journal of the American Chemical Society·Curtis J SchneiderVincent L Pecoraro
Apr 20, 2010·Journal of Computer-aided Molecular Design·Daniel Seeliger, Bert L de Groot
Oct 1, 2010·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Milan CacićValentina Rajković
Feb 4, 2011·Dalton Transactions : an International Journal of Inorganic Chemistry·Yuichi ShimazakiTim Storr
Nov 8, 2011·Acta Crystallographica. Section E, Structure Reports Online·A ThirugnanasundarG Rajagopal
Mar 27, 2012·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Aurkie RaySamita Basu
Jan 25, 2013·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yongxin ZhaoHaji Akber Aisa
Dec 9, 2014·Journal of Pharmaceutical and Biomedical Analysis·Daniele BaniBarbara Valtancoli
Jan 1, 2014·Clujul medical : revistă de medicină şi farmacie·Tamara TopalăRadu Oprean

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