Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents

A series of cobalt, nickel and copper complexes of bidentate Schiff base derived from the condensation reaction of 4-amino-5-mercapto-3-methyl-1,2,4-triazole with 2-nitrobenzaldehyde had been synthesized. The synthesized Schiff base and their metal complexes have been characterized with the support...

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Main Authors:	S.A. Deodware, D.J. Sathe, P.B. Choudhari, T.N. Lokhande, S.H. Gaikwad
Format:	Article
Language:	English
Published:	Elsevier 2017-02-01
Series:	Arabian Journal of Chemistry
Subjects:	Transition metal complexes Spectral analysis Molecular docking Anticancer
Online Access:	http://www.sciencedirect.com/science/article/pii/S187853521630168X

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spelling	doaj-43961c8b21a0494abae8824470b070102020-11-24T22:37:16ZengElsevierArabian Journal of Chemistry1878-53522017-02-0110226227210.1016/j.arabjc.2016.09.024Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agentsS.A. Deodware0D.J. Sathe1P.B. Choudhari2T.N. Lokhande3S.H. Gaikwad4Chemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Barshi, Dist. Solapur, MS, IndiaDepartment of Chemistry, KIT’s College of Engineering, Kolhapur, MS, IndiaDepartment of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, MS, IndiaChemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Barshi, Dist. Solapur, MS, IndiaChemistry Research Laboratory, Department of Chemistry, Shri Shivaji Mahavidyalaya, Barshi, Dist. Solapur, MS, IndiaA series of cobalt, nickel and copper complexes of bidentate Schiff base derived from the condensation reaction of 4-amino-5-mercapto-3-methyl-1,2,4-triazole with 2-nitrobenzaldehyde had been synthesized. The synthesized Schiff base and their metal complexes have been characterized with the support of more than a few physicochemical techniques, elemental evaluation, magnetic moment measurements, spectroscopic, thermo gravimetric techniques and X-ray powder diffraction. Spectral analysis exhibits square planer geometry for Cu(II) complex while octahedral geometry for Co(II) and Ni(II) complexes. The Schiff base and their complexes have been screened for their anticancer activity using MCF7 cell line. In molecular docking learn exhibits that Ni(II) complex is more active confirmed quantity of interaction in particular hydrogen bond interaction with ASN142 and charge interactions with ASP97 and GLU99.http://www.sciencedirect.com/science/article/pii/S187853521630168XTransition metal complexesSpectral analysisMolecular dockingAnticancer
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	S.A. Deodware D.J. Sathe P.B. Choudhari T.N. Lokhande S.H. Gaikwad
spellingShingle	S.A. Deodware D.J. Sathe P.B. Choudhari T.N. Lokhande S.H. Gaikwad Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents Arabian Journal of Chemistry Transition metal complexes Spectral analysis Molecular docking Anticancer
author_facet	S.A. Deodware D.J. Sathe P.B. Choudhari T.N. Lokhande S.H. Gaikwad
author_sort	S.A. Deodware
title	Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents
title_short	Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents
title_full	Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents
title_fullStr	Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents
title_full_unstemmed	Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents
title_sort	development and molecular modeling of co(ii), ni(ii) and cu(ii) complexes as high acting anti breast cancer agents
publisher	Elsevier
series	Arabian Journal of Chemistry
issn	1878-5352
publishDate	2017-02-01
description	A series of cobalt, nickel and copper complexes of bidentate Schiff base derived from the condensation reaction of 4-amino-5-mercapto-3-methyl-1,2,4-triazole with 2-nitrobenzaldehyde had been synthesized. The synthesized Schiff base and their metal complexes have been characterized with the support of more than a few physicochemical techniques, elemental evaluation, magnetic moment measurements, spectroscopic, thermo gravimetric techniques and X-ray powder diffraction. Spectral analysis exhibits square planer geometry for Cu(II) complex while octahedral geometry for Co(II) and Ni(II) complexes. The Schiff base and their complexes have been screened for their anticancer activity using MCF7 cell line. In molecular docking learn exhibits that Ni(II) complex is more active confirmed quantity of interaction in particular hydrogen bond interaction with ASN142 and charge interactions with ASP97 and GLU99.
topic	Transition metal complexes Spectral analysis Molecular docking Anticancer
url	http://www.sciencedirect.com/science/article/pii/S187853521630168X
work_keys_str_mv	AT sadeodware developmentandmolecularmodelingofcoiiniiiandcuiicomplexesashighactingantibreastcanceragents AT djsathe developmentandmolecularmodelingofcoiiniiiandcuiicomplexesashighactingantibreastcanceragents AT pbchoudhari developmentandmolecularmodelingofcoiiniiiandcuiicomplexesashighactingantibreastcanceragents AT tnlokhande developmentandmolecularmodelingofcoiiniiiandcuiicomplexesashighactingantibreastcanceragents AT shgaikwad developmentandmolecularmodelingofcoiiniiiandcuiicomplexesashighactingantibreastcanceragents
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Development and molecular modeling of Co(II), Ni(II) and Cu(II) complexes as high acting anti breast cancer agents

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