1ftd

<StructureSection load='1ftd' size='340' side='right' caption='[[1ftd]], [[Resolution|resolution]] 2.00&Aring;' scene=''>

<table><tr><td colspan='2'>[[1ftd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FTD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1FTD FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E97:[3-(4-{2-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3H-[5,5]BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE'>E97</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ftd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ftd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1ftd RCSB], [http://www.ebi.ac.uk/pdbsum/1ftd PDBsum]</span></td></tr>

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== Publication Abstract from PubMed ==

The synthesis and evaluation of the novel head-to-head bisbenzimidazole compound 2,2-bis[4'-(3' '-dimethylamino-1' '-propyloxy)phenyl]-5,5-bi-1H-benzimidazole is described. An X-ray crystallographic study of a complex with the DNA dodecanucleotide sequence d(CGCGAATTCGCG) shows the compound bound in the A/T minor groove region of a B-DNA duplex and that the head-to-head bisbenzimidazole motif hydrogen-bonds to the edges of all four consecutive A:T base pairs. The compound showed potent growth inhibition with a mean IC(50) across an ovarian carcinoma cell line panel of 0.31 microM, with no significant cross-resistance in two acquired cisplatin-resistant cell lines and a low level of cross-resistance in the P-glycoprotein overexpressing acquired doxorubicin-resistant cell line. Studies with the hollow fiber assay and in vivo tumor xenografts showed some evidence of antitumor activity.

A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity.,Mann J, Baron A, Opoku-Boahen Y, Johansson E, Parkinson G, Kelland LR, Neidle S J Med Chem. 2001 Jan 18;44(2):138-44. PMID:11170623<ref>PMID:11170623</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>

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== References ==

<references/>

[[Category: Baron, A]]

[[Category: Johansson, E]]

[[Category: Kelland, L R]]

[[Category: Mann, J]]

[[Category: Neidle, S]]

[[Category: Opoku-Boahen, Y]]

[[Category: Parkinson, G]]

[[Category: Minor groove binding]]