@article{
 title = {Probing site specificity of DNA binding metallointercalators by NMR spectroscopy and molecular modeling},
 type = {article},
 year = {2001},
 pages = {4867-4878},
 volume = {40},
 id = {ecd0710f-2f62-38e1-9576-54331818c01f},
 created = {2023-01-10T01:46:35.999Z},
 file_attached = {false},
 profile_id = {a5a2ab6f-a8b5-3db6-97bc-618752ee4386},
 group_id = {bc1ab1d4-9e57-37e6-9fb5-435fca0ee9d2},
 last_modified = {2023-01-10T01:46:35.999Z},
 read = {false},
 starred = {false},
 authored = {false},
 confirmed = {false},
 hidden = {false},
 private_publication = {false},
 abstract = {The molecular recognition of oligonucleotides by chiral ruthenium complexes has been probed by NMR spectroscopy using the template Δ-cis-α- and Δ-cis-β-[Ru(RR-picchxnMe2) (bidentate)]2+, where the bidentate ligand is one of phen (1,10-phenanthroline), dpq (dipyrido[3,2-f:2′,3′-h]quinoxaline), or phi (9,10-phenanthrenequinone diimine) and picchxnMe2 is N,N′-dimethyl-N,N′-di(2-picolyl)-1,2-diaminocyclohexane. By varying only the bidentate ligand in a series of complexes, it was shown that the bidentate alone can alter binding modes. DNA binding studies of the Δ-cis-α,-[Ru(RR-picchxnMe2)(phen)]2+ complex indicate fast exchange kinetics on the chemical shift time scale and a "partial intercalation" mode of binding. This complex binds to [d(CGCGATCGCG)]2 and [d(ATATCGATAT)]2 at AT, TA, and GA sites from the minor groove, as well as to the ends of the oligonucleotide at low temperature. Studies of the Δ-cis-β-[Ru(RR-picchxnMe2)(phen)]2+ complex with [d(CGCGATCGCG)]2 showed that the complex binds only weakly to the ends of the oligonucleotide. The interaction of Δ-cis-α-[Ru(RR-picchxnMe2)-(dpq)]2+ with [d(CGCGATCGCG)]2 showed intermediate exchange kinetics and evidence of minor groove intercalation at the GA base step. In contrast to the phen and dpq complexes, Δ-cis-α- and Δ-cis-β-[Ru-(RR-picchxnMe2)(phi)]2+ showed evidence of major groove binding independent of the metal ion configuration. DNA stabilization induced by complex binding to [d(CGCGATCGCG)]2 (measured as ΔTm) increases in the order phen < dpq and DNA affinity in the order phen < dpq < phi. The groove binding preferences exhibited by the different bidentate ligands is explained with the aid of molecular modeling experiments.},
 bibtype = {article},
 author = {Proudfoot, E.M. and Mackay, J.P. and Karuso, P.},
 doi = {10.1021/bi001655f},
 journal = {Biochemistry},
 number = {15}
}

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By varying only the bidentate ligand in a series of complexes, it was shown that the bidentate alone can alter binding modes. DNA binding studies of the Δ-cis-α,-[Ru(RR-picchxnMe2)(phen)]2+ complex indicate fast exchange kinetics on the chemical shift time scale and a \"partial intercalation\" mode of binding. This complex binds to [d(CGCGATCGCG)]2 and [d(ATATCGATAT)]2 at AT, TA, and GA sites from the minor groove, as well as to the ends of the oligonucleotide at low temperature. Studies of the Δ-cis-β-[Ru(RR-picchxnMe2)(phen)]2+ complex with [d(CGCGATCGCG)]2 showed that the complex binds only weakly to the ends of the oligonucleotide. The interaction of Δ-cis-α-[Ru(RR-picchxnMe2)-(dpq)]2+ with [d(CGCGATCGCG)]2 showed intermediate exchange kinetics and evidence of minor groove intercalation at the GA base step. In contrast to the phen and dpq complexes, Δ-cis-α- and Δ-cis-β-[Ru-(RR-picchxnMe2)(phi)]2+ showed evidence of major groove binding independent of the metal ion configuration. DNA stabilization induced by complex binding to [d(CGCGATCGCG)]2 (measured as ΔTm) increases in the order phen < dpq and DNA affinity in the order phen < dpq < phi. The groove binding preferences exhibited by the different bidentate ligands is explained with the aid of molecular modeling experiments.","bibtype":"article","author":"Proudfoot, E.M. and Mackay, J.P. and Karuso, P.","doi":"10.1021/bi001655f","journal":"Biochemistry","number":"15","bibtex":"@article{\n title = {Probing site specificity of DNA binding metallointercalators by NMR spectroscopy and molecular modeling},\n type = {article},\n year = {2001},\n pages = {4867-4878},\n volume = {40},\n id = {ecd0710f-2f62-38e1-9576-54331818c01f},\n created = {2023-01-10T01:46:35.999Z},\n file_attached = {false},\n profile_id = {a5a2ab6f-a8b5-3db6-97bc-618752ee4386},\n group_id = {bc1ab1d4-9e57-37e6-9fb5-435fca0ee9d2},\n last_modified = {2023-01-10T01:46:35.999Z},\n read = {false},\n starred = {false},\n authored = {false},\n confirmed = {false},\n hidden = {false},\n private_publication = {false},\n abstract = {The molecular recognition of oligonucleotides by chiral ruthenium complexes has been probed by NMR spectroscopy using the template Δ-cis-α- and Δ-cis-β-[Ru(RR-picchxnMe2) (bidentate)]2+, where the bidentate ligand is one of phen (1,10-phenanthroline), dpq (dipyrido[3,2-f:2′,3′-h]quinoxaline), or phi (9,10-phenanthrenequinone diimine) and picchxnMe2 is N,N′-dimethyl-N,N′-di(2-picolyl)-1,2-diaminocyclohexane. By varying only the bidentate ligand in a series of complexes, it was shown that the bidentate alone can alter binding modes. DNA binding studies of the Δ-cis-α,-[Ru(RR-picchxnMe2)(phen)]2+ complex indicate fast exchange kinetics on the chemical shift time scale and a \"partial intercalation\" mode of binding. This complex binds to [d(CGCGATCGCG)]2 and [d(ATATCGATAT)]2 at AT, TA, and GA sites from the minor groove, as well as to the ends of the oligonucleotide at low temperature. Studies of the Δ-cis-β-[Ru(RR-picchxnMe2)(phen)]2+ complex with [d(CGCGATCGCG)]2 showed that the complex binds only weakly to the ends of the oligonucleotide. The interaction of Δ-cis-α-[Ru(RR-picchxnMe2)-(dpq)]2+ with [d(CGCGATCGCG)]2 showed intermediate exchange kinetics and evidence of minor groove intercalation at the GA base step. In contrast to the phen and dpq complexes, Δ-cis-α- and Δ-cis-β-[Ru-(RR-picchxnMe2)(phi)]2+ showed evidence of major groove binding independent of the metal ion configuration. DNA stabilization induced by complex binding to [d(CGCGATCGCG)]2 (measured as ΔTm) increases in the order phen < dpq and DNA affinity in the order phen < dpq < phi. The groove binding preferences exhibited by the different bidentate ligands is explained with the aid of molecular modeling experiments.},\n bibtype = {article},\n author = {Proudfoot, E.M. and Mackay, J.P. and Karuso, P.},\n doi = {10.1021/bi001655f},\n journal = {Biochemistry},\n number = {15}\n}","author_short":["Proudfoot, E.","Mackay, J.","Karuso, P."],"biburl":"https://bibbase.org/service/mendeley/a5a2ab6f-a8b5-3db6-97bc-618752ee4386","bibbaseid":"proudfoot-mackay-karuso-probingsitespecificityofdnabindingmetallointercalatorsbynmrspectroscopyandmolecularmodeling-2001","role":"author","urls":{},"metadata":{"authorlinks":{"mackay, j":"https://bibbase.org/service/mendeley/a5a2ab6f-a8b5-3db6-97bc-618752ee4386/group/bc1ab1d4-9e57-37e6-9fb5-435fca0ee9d2"}},"downloads":0},"bibtype":"article","creationDate":"2020-10-01T05:32:51.657Z","downloads":0,"keywords":[],"search_terms":["probing","site","specificity","dna","binding","metallointercalators","nmr","spectroscopy","molecular","modeling","proudfoot","mackay","karuso"],"title":"Probing site specificity of DNA binding metallointercalators by NMR spectroscopy and molecular modeling","year":2001,"biburl":"https://bibbase.org/service/mendeley/a5a2ab6f-a8b5-3db6-97bc-618752ee4386","dataSources":["QNo3CKhtog6c3sh7Y","ya2CyA73rpZseyrZ8","4BKYoCQJ3ndMcbbtH","2252seNhipfTmjEBQ"]}