Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone

Theoretical investigation and antineoplastic potential of Zn (II) and Pd (II) complexes of 6-methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone

Density Functional Theoretical (DFT) and molecular docking studies have been used to elucidate the antineoplastic potential of the ligand 6-Methylpyridine-2-carbaldehyde-N (4)-ethylthiosemicarbazone (MET) and its platinum(II) and zinc(II) complexes. The frontier molecular orbital and the global quan...

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Bibliographic Details
Main Authors: Ededet A. Eno, Faith A. Patrick-Inezi, Hitler Louis, Terkumbur E. Gber, Tomsmith O. Unimuke, Ernest C. Agwamba, Onyinye Joy Ikenyirimba, Josephat A. Akpanke, Emmanuella Oyoita, Emmanuel U. Ejiofor, Stephen Adie Adalikwu
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Chemical Physics Impact
Subjects:
Schiff base
Transition metal
DFT
FMO
NBO
QTAIM
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022422000330

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http://www.sciencedirect.com/science/article/pii/S2667022422000330

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