1imr
From Proteopedia
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MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)
Overview
4'-Deoxy-4'-iododoxorubicin, a halogenated anthracycline derivative, is an, anticancer agent currently under Phase II clinical trials. In preclinical, studies, it has demonstrated significantly reduced levels of, cardiotoxicity compared to currently employed anthracyclines. It also has, modified pharmacological properties resulting in an altered spectrum of, experimental antitumor activity. The iodine atom at the 4' position of the, sugar ring reduces the basicity and enhances the lipophilicity of this, compound as compared to related anthracycline drugs. We report here single, crystal X-ray diffraction studies of the complexes of, 4'-deoxy-4'-iododoxorubicin with the hexanucleotide duplex sequences, d(TGTACA) and d(CGATCG) at 1.6 and 1.5 A, respectively. The iodine, substituent does not alter the geometry of intercalation as compared to, previously solved anthracycline complexes, but appears to markedly affect, the solvent environment of the structures. This could have consequences, for the interaction of this drug with DNA and DNA binding proteins in, cells.
About this Structure
1IMR is a Protein complex structure of sequences from [1] with DM7 as ligand. Full crystallographic information is available from OCA.
Reference
Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG)., Berger I, Su L, Spitzner JR, Kang C, Burke TG, Rich A, Nucleic Acids Res. 1995 Nov 11;23(21):4488-94. PMID:7501474
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