Synthesis, spectroscopic characterization, potentiometric studies, cytotoxic studies and molecular docking studies of DNA binding of transition metal complexes with 1,1-diaminopropane-Schiff base

被引：67
|
作者：
Alaghaz, Abdel-Nasser M. A. [1 ]
El-Sayed, Badr A. [1 ]
El-Henawy, Ahmed A. [1 ]
Ammar, Reda A. A. [2 ]
机构：
[1] Al Azhar Univ, Fac Sci Boys, Dept Chem, Cairo, Egypt
[2] King Saud Univ, Fac Sci, Dept Chem, Riyadh, Saudi Arabia
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2013年 / 1035卷
关键词：
Schiff base; Transition metal complexes; Spectroscopic; Stability constants; SCHIFF-BASES; COPPER(II) COMPLEXES; ELECTRONIC-PROPERTIES; TETRADENTATE; NICKEL(II); COBALT(II); STEREOCHEMISTRY; MANGANESE(II); CHROMIUM(III); TAUTOMERISM;
D O I：
10.1016/j.molstruc.2012.09.032
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new series of Schiff base transition metal complexes with N,N'-bis(2-hydroxybenzylidene)-1,1-diaminopropane (H(2)BHBDAP) have been prepared and characterized by elemental analysis, spectroscopic and magnetic measurements. Protonation constants of Schiff base and stability constants of their binary metal complexes have been determined potentiometrically in 50% DMSO-water media at 25 degrees C and ionic strength 0.10 M sodium perchlorate. Quantum chemical calculations were performed with semi-empirical method to find the optimum geometry of the ligand and its complexes. Additionally in silico, the Docking studies and the calculated pharmacokinetic parameters show promising futures for application of the ligand and complexes as high potency agents for DNA binding activity. (c) 2012 Elsevier B.V. All rights reserved.
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收藏
页码：83 / 93
页数：11
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