Synthesis, Structural and Biological Studies of Some Half-Sandwich d6-Metal Complexes with Pyrimidine-Based Ligands

Basava Punna Rao Aradhyula, Mahesh Kalidasan, Krishnakant Gangele, Debojit K. Deb, Samantha Shepherd, Roger Phillips, Krishna Mohan Poluri, Mohan Rao Kollipara

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Abstract

The reaction of metal precursors {[Cp*MCl2]2 (M=Rh, Ir)} with 2-aminopyrimidine (L1) gave binuclear complexes as [(Cp*MCl2)2(μ-L1)], where L1 acted as a bridging ligand. While 2-mercaptopyrimidine (L2) with [Cp*MCl2]2 {M=Rh(III), Ir(III)} formed mononuclear di substituted complexes as [Cp*M(L2)2], where L2 acted as a chelating as well as a monodentate ligand. The reaction of [CpRu(PPh3)2Cl] with 2-mercaptopyrimidine (L2) led to the formation of mononuclear complex as general formula [CpRu(PPh3)(L2)] in presence of a base. 2-Mercaptopyrimidine ligand resulted complexes with strained four-membered metallacycle while 2-aminopyrimidine yielded bridged complexes. HOMO-LUMO energy gaps and UV-Visible bands were additionally rationalised by the DFT studies. The binding ability of the complexes to the CT-DNA was confirmed using UV-Visible and fluorescence spectroscopy. In vitro antibacterial activity of the complexes was evaluated against human pathogenic bacteria. Cytotoxicity of the complexes was examined by the MTT assay over three cancerous and one non-cancer cell lines viz., BE, HT-29, MIA−Pa-Ca2 and ARPE-19.
Original languageEnglish
Pages (from-to)2065-2076
JournalChemistrySelect
Volume2
Issue number6
DOIs
Publication statusPublished - 23 Feb 2017

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Coordination Complexes
Ligands
Fluorescence spectroscopy
Cytotoxicity
Chelation
Discrete Fourier transforms
Assays
Bacteria
Energy gap
Metals
Cells
DNA
pyrimidine
pyrimidine-2-thiol
2-aminopyrimidine

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Aradhyula, Basava Punna Rao ; Kalidasan, Mahesh ; Gangele, Krishnakant ; Deb, Debojit K. ; Shepherd, Samantha ; Phillips, Roger ; Poluri, Krishna Mohan ; Kollipara, Mohan Rao. / Synthesis, Structural and Biological Studies of Some Half-Sandwich d6-Metal Complexes with Pyrimidine-Based Ligands. In: ChemistrySelect. 2017 ; Vol. 2, No. 6. pp. 2065-2076.
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abstract = "The reaction of metal precursors {[Cp*MCl2]2 (M=Rh, Ir)} with 2-aminopyrimidine (L1) gave binuclear complexes as [(Cp*MCl2)2(μ-L1)], where L1 acted as a bridging ligand. While 2-mercaptopyrimidine (L2) with [Cp*MCl2]2 {M=Rh(III), Ir(III)} formed mononuclear di substituted complexes as [Cp*M(L2)2], where L2 acted as a chelating as well as a monodentate ligand. The reaction of [CpRu(PPh3)2Cl] with 2-mercaptopyrimidine (L2) led to the formation of mononuclear complex as general formula [CpRu(PPh3)(L2)] in presence of a base. 2-Mercaptopyrimidine ligand resulted complexes with strained four-membered metallacycle while 2-aminopyrimidine yielded bridged complexes. HOMO-LUMO energy gaps and UV-Visible bands were additionally rationalised by the DFT studies. The binding ability of the complexes to the CT-DNA was confirmed using UV-Visible and fluorescence spectroscopy. In vitro antibacterial activity of the complexes was evaluated against human pathogenic bacteria. Cytotoxicity of the complexes was examined by the MTT assay over three cancerous and one non-cancer cell lines viz., BE, HT-29, MIA−Pa-Ca2 and ARPE-19.",
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Synthesis, Structural and Biological Studies of Some Half-Sandwich d6-Metal Complexes with Pyrimidine-Based Ligands. / Aradhyula, Basava Punna Rao; Kalidasan, Mahesh; Gangele, Krishnakant; Deb, Debojit K.; Shepherd, Samantha; Phillips, Roger; Poluri, Krishna Mohan; Kollipara, Mohan Rao.

In: ChemistrySelect, Vol. 2, No. 6, 23.02.2017, p. 2065-2076.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Synthesis, Structural and Biological Studies of Some Half-Sandwich d6-Metal Complexes with Pyrimidine-Based Ligands

AU - Aradhyula, Basava Punna Rao

AU - Kalidasan, Mahesh

AU - Gangele, Krishnakant

AU - Deb, Debojit K.

AU - Shepherd, Samantha

AU - Phillips, Roger

AU - Poluri, Krishna Mohan

AU - Kollipara, Mohan Rao

PY - 2017/2/23

Y1 - 2017/2/23

N2 - The reaction of metal precursors {[Cp*MCl2]2 (M=Rh, Ir)} with 2-aminopyrimidine (L1) gave binuclear complexes as [(Cp*MCl2)2(μ-L1)], where L1 acted as a bridging ligand. While 2-mercaptopyrimidine (L2) with [Cp*MCl2]2 {M=Rh(III), Ir(III)} formed mononuclear di substituted complexes as [Cp*M(L2)2], where L2 acted as a chelating as well as a monodentate ligand. The reaction of [CpRu(PPh3)2Cl] with 2-mercaptopyrimidine (L2) led to the formation of mononuclear complex as general formula [CpRu(PPh3)(L2)] in presence of a base. 2-Mercaptopyrimidine ligand resulted complexes with strained four-membered metallacycle while 2-aminopyrimidine yielded bridged complexes. HOMO-LUMO energy gaps and UV-Visible bands were additionally rationalised by the DFT studies. The binding ability of the complexes to the CT-DNA was confirmed using UV-Visible and fluorescence spectroscopy. In vitro antibacterial activity of the complexes was evaluated against human pathogenic bacteria. Cytotoxicity of the complexes was examined by the MTT assay over three cancerous and one non-cancer cell lines viz., BE, HT-29, MIA−Pa-Ca2 and ARPE-19.

AB - The reaction of metal precursors {[Cp*MCl2]2 (M=Rh, Ir)} with 2-aminopyrimidine (L1) gave binuclear complexes as [(Cp*MCl2)2(μ-L1)], where L1 acted as a bridging ligand. While 2-mercaptopyrimidine (L2) with [Cp*MCl2]2 {M=Rh(III), Ir(III)} formed mononuclear di substituted complexes as [Cp*M(L2)2], where L2 acted as a chelating as well as a monodentate ligand. The reaction of [CpRu(PPh3)2Cl] with 2-mercaptopyrimidine (L2) led to the formation of mononuclear complex as general formula [CpRu(PPh3)(L2)] in presence of a base. 2-Mercaptopyrimidine ligand resulted complexes with strained four-membered metallacycle while 2-aminopyrimidine yielded bridged complexes. HOMO-LUMO energy gaps and UV-Visible bands were additionally rationalised by the DFT studies. The binding ability of the complexes to the CT-DNA was confirmed using UV-Visible and fluorescence spectroscopy. In vitro antibacterial activity of the complexes was evaluated against human pathogenic bacteria. Cytotoxicity of the complexes was examined by the MTT assay over three cancerous and one non-cancer cell lines viz., BE, HT-29, MIA−Pa-Ca2 and ARPE-19.

U2 - 10.1002/slct.201601926

DO - 10.1002/slct.201601926

M3 - Article

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SP - 2065

EP - 2076

JO - ChemistrySelect

JF - ChemistrySelect

SN - 2365-6549

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ER -