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Pd(II) and Pt(II) chalcone complexes. Synthesis, spectral characterization, molecular modeling, biomolecular docking, antimicrobial and antitumor activities

Pd(II) and Pt(II) chalcone complexes. Synthesis, spectral characterization, molecular modeling, biomolecular docking, antimicrobial and antitumor activities
Pd(II) and Pt(II) chalcone complexes. Synthesis, spectral characterization, molecular modeling, biomolecular docking, antimicrobial and antitumor activities
Pd (II) and Pt(II) complexes of (E)-3-(4-(dimethylamino)phenyl)-1-(pyridin-2-yl) prop-2-en-1-one (L) and its Pd (II) and Pt(II) formulated as [Pt(L1)2] Cl2. 2H2O, [Pd (L1)2] Cl2 0.5H2O, [Pd (L1)2] (AcO)2 CH3OH have been synthesized. Elemental analyses, molar conductance, thermal technique, molecular modeling, IR and electronic spectral measurements were used to verify the structures of the complexes. The titled ligand behaves as a neutral bidentate ligand coordination via pyridine nitrogen and carbonyl oxygen atoms. These complexes have square planar geometry. The kinetic and thermodynamic parameters of the decomposition steps were evaluated. The in-vitro antimicrobial and antitumor activities of the investigated compounds were screened against different microorganisms and the human hepato-cellular carcinoma cells, HEPG2, respectively. The data showed that the metal complexes have more antimicrobial and antitumor activities than the ligand itself. Molecular docking studies were performed by Docking Server and SwissDock using X-ray crystallographic structures of the proteins (3t88, 4m01, 4ynt, 1zap & 121P) from Protein Data Bank (PDB). The ligand and possibly its complexes showed favorable binding with the receptors of the microorganisms (3t88, 4m01, 4ynt, 1zap) and H-ras oncoprotein. Hence, our results present the synthesized complexes as potential antimicrobial and anticancer drug candidates.
1010-6030
163-174
Gaber, Mohamed
ac18b0fd-e00b-48ef-bb82-de4191dd9234
El-Ghamry, Hoda A.
9361a28a-2174-4540-bd8a-3caf7559d994
Mansour, Mohammed
03d901e1-959e-4c7d-acc6-33c6a4b129f7
Gaber, Mohamed
ac18b0fd-e00b-48ef-bb82-de4191dd9234
El-Ghamry, Hoda A.
9361a28a-2174-4540-bd8a-3caf7559d994
Mansour, Mohammed
03d901e1-959e-4c7d-acc6-33c6a4b129f7

Gaber, Mohamed, El-Ghamry, Hoda A. and Mansour, Mohammed (2018) Pd(II) and Pt(II) chalcone complexes. Synthesis, spectral characterization, molecular modeling, biomolecular docking, antimicrobial and antitumor activities. Journal of Photochemistry and Photobiology A: Chemistry, 354, 163-174. (doi:10.1016/j.jphotochem.2017.07.031).

Record type: Article

Abstract

Pd (II) and Pt(II) complexes of (E)-3-(4-(dimethylamino)phenyl)-1-(pyridin-2-yl) prop-2-en-1-one (L) and its Pd (II) and Pt(II) formulated as [Pt(L1)2] Cl2. 2H2O, [Pd (L1)2] Cl2 0.5H2O, [Pd (L1)2] (AcO)2 CH3OH have been synthesized. Elemental analyses, molar conductance, thermal technique, molecular modeling, IR and electronic spectral measurements were used to verify the structures of the complexes. The titled ligand behaves as a neutral bidentate ligand coordination via pyridine nitrogen and carbonyl oxygen atoms. These complexes have square planar geometry. The kinetic and thermodynamic parameters of the decomposition steps were evaluated. The in-vitro antimicrobial and antitumor activities of the investigated compounds were screened against different microorganisms and the human hepato-cellular carcinoma cells, HEPG2, respectively. The data showed that the metal complexes have more antimicrobial and antitumor activities than the ligand itself. Molecular docking studies were performed by Docking Server and SwissDock using X-ray crystallographic structures of the proteins (3t88, 4m01, 4ynt, 1zap & 121P) from Protein Data Bank (PDB). The ligand and possibly its complexes showed favorable binding with the receptors of the microorganisms (3t88, 4m01, 4ynt, 1zap) and H-ras oncoprotein. Hence, our results present the synthesized complexes as potential antimicrobial and anticancer drug candidates.

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More information

Accepted/In Press date: 24 July 2017
e-pub ahead of print date: 24 August 2017
Published date: 1 March 2018

Identifiers

Local EPrints ID: 432619
URI: https://eprints.soton.ac.uk/id/eprint/432619
ISSN: 1010-6030
PURE UUID: dd931353-3c50-4b6d-8b49-e9ec1004386f

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Date deposited: 22 Jul 2019 16:30
Last modified: 22 Jul 2019 16:30

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