The piroxicam complex of cobalt(II): Synthesis in two different ionic liquids, structure, DNA- and BSA interaction and molecular modeling

被引：73

作者：

Darabi, Farivash ^{[1
]}

Hadadzadeh, Hassan ^{[1
]}

Ebrahimi, Malihe ^{[1
]}

Khayamian, Taghi ^{[1
]}

Rudbari, Hadi Amiri ^{[2
]}

机构：

[1] Isfahan Univ Technol, Dept Chem, Esfahan 8415683111, Iran

[2] Univ Isfahan, Fac Chem, Esfahan 8174673441, Iran

来源：

INORGANICA CHIMICA ACTA | 2014年 / 409卷

关键词：

Cobalt; Piroxicam; X-ray crystallography; DNA; BSA; Molecular modeling; BOVINE SERUM-ALBUMIN; MONONUCLEAR COPPER(II) COMPLEX; PARTICLE MESH EWALD; CRYSTAL-STRUCTURE; BIOLOGICAL EVALUATION; PROTEIN-INTERACTION; CYTOTOXIC ACTIVITY; METAL-COMPLEXES; BINDING; DRUG;

D O I：

10.1016/j.ica.2013.09.035

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The mononuclear Co(II) complex, trans-[Co(Pir)(2)(DMF)(2)], where Pir is piroxicam, has been prepared in two different ionic liquids and fully characterized. The interaction of the complex with CT-DNA and BSA has been monitored using different analytical methods. The results have indicated that the complex binds to CT-DNA by a groove mode and also a partial insertion of a Pir ligand between the base stacks of DNA. The molecular docking of the complex with DNA has revealed that the complex can fit into the major groove and is stabilized by intermolecular hydrogen bonding and hydrophobic interactions. The results have also shown a moderate binding propensity of the complex to BSA. The molecular modeling has indicated that the binding mode of the complex to BSA is of hydrophobic and hydrogen bond interactions. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：379 / 389

页数：11

共 85 条

[1] A mononuclear copper(II) complex based on the polypyridyl ligand 2,4,6-tris(2-pyridyl)-1,3,5-triazine (tptz), [Cu(tptz)2]2+: X-ray crystal structure, DNA binding and in vitro cell cytotoxicity [J].

Abdi, Khatereh ;

Hadadzadeh, Hassan ;

Salimi, Mona ;

Simpson, Jim ;

Khalaji, Aliakbar Dehno .

POLYHEDRON, 2012, 44 (01) :101-112

[2] Mononuclear copper(II) complex with terpyridine and an extended phenanthroline base, [Cu(tpy)(dppz)]2+: Synthesis, crystal structure, DNA binding and cytotoxicity activity [J].

Abdi, Khatereh ;

Hadadzadeh, Hassan ;

Weil, Matthias ;

Salimi, Mona .

POLYHEDRON, 2012, 31 (01) :638-648

[3]

[Anonymous], 1998, SHELXT LN VERS 5 10

[4] Interaction studies of a novel Co(II)-based potential chemotherapeutic agent with human serum albumin (HSA) employing biophysical techniques [J].

Arjmand, Farukh ;

Tewatia, Poonam ;

Aziz, Mubashira ;

Khan, Rizwan H. .

MEDICINAL CHEMISTRY RESEARCH, 2010, 19 (08) :794-807

[5] MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].

BERENDSEN, HJC ;

POSTMA, JPM ;

VANGUNSTEREN, WF ;

DINOLA, A ;

HAAK, JR .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690

[6] Spectroscopy and electrochemistry of cobalt(III) Schiff base complexes [J].

Bottcher, A ;

Takeuchi, T ;

Hardcastle, KI ;

Meade, TJ ;

Gray, HB ;

Cwikel, D ;

Kapon, M ;

Dori, Z .

INORGANIC CHEMISTRY, 1997, 36 (12) :2498-2504

[7] Locating the binding sites of anticancer tamoxifen and its metabolites 4-hydroxytamoxifen and endoxifen on bovine serum albumin [J].

Bourassa, P. ;

Dubeau, S. ;

Maharvi, Ghulam M. ;

Fauq, Abdul H. ;

Thomas, T. J. ;

Tajmir-Riahi, H. A. .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2011, 46 (09) :4344-4353

[8]

*BRUK AXS INC, 1999, SAINT VERS 6 02

[9] SIR2004:: an improved tool for crystal structure determination and refinement [J].

Burla, MC ;

Caliandro, R ;

Camalli, M ;

Carrozzini, B ;

Cascarano, GL ;

De Caro, L ;

Giacovazzo, C ;

Polidori, G ;

Spagna, R .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2005, 38 :381-388

[10] VOLTAMMETRIC STUDIES OF THE INTERACTION OF METAL-CHELATES WITH DNA .2. TRIS-CHELATED COMPLEXES OF COBALT(III) AND IRON(II) WITH 1,10-PHENANTHROLINE AND 2,2'-BIPYRIDINE [J].

CARTER, MT ;

RODRIGUEZ, M ;

BARD, AJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (24) :8901-8911

← 1 2 3 4 5 6 7 8 9 →