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Rational design of pyrrolo.

Abstract：

:Models have been developed for the interaction of the pyrrolo[1,2-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.

journal_name

Bioorg Chem

journal_title

Bioorganic chemistry

authors

Huang X,Suleman A,Skibo EB

doi

10.1006/bioo.2000.1183

subject

Has Abstract

pub_date

2000-12-01 00:00:00

pages

324-37

issue

6

eissn

0045-2068

issn

1090-2120

pii

S0045206800911830

journal_volume

28

pub_type

杂志文章

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