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Synthesis and Molecular Modeling of a Nitrogen Mustard DNA Interstrand Crosslink
Author(s) -
Guainazzi Angelo,
Campbell Arthur J.,
Angelov Todor,
Simmerling Carlos,
Schärer Orlando D.
Publication year - 2010
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201002041
Subject(s) - nitrogen mustard , adduct , dna , nitrogen , chemistry , molecular dynamics , biochemistry , combinatorial chemistry , computational chemistry , biophysics , computational biology , chemotherapy , organic chemistry , biology , genetics , cyclophosphamide
Nitrogen mustard reloaded : Over 60 years after nitrogen mustards (NMs) were the first agents used to treat tumors by chemotherapy, we provide a method to generate the main DNA adduct formed by NMs and validate them by using molecular dynamics simulations (see graphic). We are able to provide amounts that permit extensive structural and biological studies.