Literature DB >> 6443878

Computer modelling studies of the covalent interactions between DNA and the enantiomers of anti-7,8-diol,9,10-epoxy-benzo[a]pyrene.

A K Aggarwal1, S A Islam, S Neidle.   

Abstract

The molecular structures of adducts between the + and - enantiomers of 7,8-diol 9,10-epoxy benzo[a]pyrene and a double-stranded model for DNA, have been examined by empirical energy calculations. Low-energy structures were only obtained for A form, and not B form DNA. Both + and - adducts are of approximately equal energy. Some structural differences in the orientation of the BP chromophore in the two adducts were found.

Entities:  

Mesh:

Substances:

Year:  1983        PMID: 6443878     DOI: 10.1080/07391102.1983.10507490

Source DB:  PubMed          Journal:  J Biomol Struct Dyn        ISSN: 0739-1102


  2 in total

1.  Molecular dynamics simulations of excimer forming (+)-anti-BPDE-DNA adducts in aqueous solution.

Authors:  S Sen; A Gräslund
Journal:  Eur Biophys J       Date:  1995       Impact factor: 1.733

2.  Solution conformation of the major adduct between the carcinogen (+)-anti-benzo[a]pyrene diol epoxide and DNA.

Authors:  M Cosman; C de los Santos; R Fiala; B E Hingerty; S B Singh; V Ibanez; L A Margulis; D Live; N E Geacintov; S Broyde
Journal:  Proc Natl Acad Sci U S A       Date:  1992-03-01       Impact factor: 11.205

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.