Selective G-quadruplex stabilizers: Schiff-base metal complexes with anticancer activity

RSC Advances ◽  
2014 ◽  
Vol 4 (63) ◽  
pp. 33245-33256 ◽  
Author(s):  
Alessio Terenzi ◽  
Riccardo Bonsignore ◽  
Angelo Spinello ◽  
Carla Gentile ◽  
Annamaria Martorana ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Quantum Mechanics ◽  
Schiff Base ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Molecular Mechanics Calculations ◽  
G Quadruplex ◽  
Dynamics Simulations ◽  
Schiff Base Metal Complexes

Molecular dynamics simulations and quantum mechanics/molecular mechanics calculations provided a mechanism for G-quadruplex binding of three transition metal complexes.

scholarly journals Excited-state solvation structure of transition metal complexes from molecular dynamics simulations and assessment of partial atomic charge methods

2019 ◽  
Vol 21 (7) ◽  
pp. 4082-4095 ◽  
Author(s):  
Mostafa Abedi ◽  
Gianluca Levi ◽  
Diana B. Zederkof ◽  
Niels E. Henriksen ◽  
Mátyás Pápai ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Excited State ◽  
Transition Metal ◽  
Metal Complexes ◽  
Molecular Dynamics Simulations ◽  
Transition Metal Complexes ◽  
Atomic Charge ◽  
Solvation Structure ◽  
Dynamics Simulations

Excited-state solvation structure (radial distribution function) of transition metal complexes by classical and mixed quantum-classical (QM/MM) molecular dynamics simulations.

Chemical fixation of CO2 into cyclic carbonates by azo-containing Schiff base metal complexes

2015 ◽  
Vol 39 (10) ◽  
pp. 7786-7796 ◽  
Author(s):  
Mesut İkiz ◽  
Esin İspir ◽  
Emine Aytar ◽  
Mahmut Ulusoy ◽  
Şemistan Karabuğa ◽  
...  
Keyword(s):  
Schiff Base ◽  
Transition Metal ◽  
Metal Complexes ◽  
Single Crystal ◽  
Base Metal ◽  
Transition Metal Complexes ◽  
Chemical Fixation ◽  
Cyclic Carbonates ◽  
X Ray ◽  
Schiff Base Metal Complexes

Two new azo-containing Schiff bases and their transition metal complexes were synthesized. Single-crystal X-ray analyses were performed on the ligand (L1H) and complex (Zn(L1)2). The synthesized metal complexes were used as catalysts for the chemical fixation of CO2 into cyclic carbonates. The azo moiety increased the activity.

Synthesis, Characterization and in vitro Biological Evaluation of a New Schiff Base Derived from Drug and its Complexes with Transition Metal Ions

2018 ◽  
Vol 69 (7) ◽  
pp. 1678-1681
Author(s):  
Amina Mumtaz ◽  
Tariq Mahmud ◽  
M. R. J. Elsegood ◽  
G. W. Weaver
Keyword(s):  
Schiff Base ◽  
Transition Metal ◽  
Metal Ions ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Free Ligand ◽  
Transition Metal Ions ◽  
Biological Evaluation ◽  
Pyridoxal Hydrochloride

New series of copper (II), cobalt (II), zinc (II), nickel (II), manganese (II), iron (II) complexes of a novel Schiff base were prepared by the condensation of sulphadizine and pyridoxal hydrochloride. The ligand and metal complexes were characterized by utilizing different instrumental procedures like microanalysis, thermogravimetric examination and spectroscopy. The integrated ligand and transition metal complexes were screened against various bacteria and fungus. The studies demonstrated the enhanced activity of metal complexes against reported microbes when compared with free ligand.

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