Rational design of pyrrolo |
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Authors: | Huang X Suleman A Skibo E B |
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Institution: | Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona, 85287-1604 |
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Abstract: | Models have been developed for the interaction of the pyrrolo1,2-a]benzimidazole (PBI) antitumor agents with the two-electron activating enzyme DT-diaphorase and the DNA major groove. The DT-diaphorase model and experimental results indicate that the S-enantiomer of 3-carbamido PBI can enantioselect ovarian cancers. The reduced PBI interacts with the DNA major groove at AT base pairs by forming Hoogsteen-like hydrogen bonds. The reduced 3-amino PBI forms three hydrogen bonds in the major groove with the amino group acting as an H-bond donor to the thymine carbonyl. The DNA-binding model will permit the design of major groove recognition agents. |
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