Synthesis and molecular modeling of a nitrogen mustard DNA interstrand crosslink

Angelo Guainazzi; Arthur J. Campbell; Todor Angelov; Carlos Simmerling; Orlando D. Schärer

doi:10.1002/chem.201002041

Synthesis and molecular modeling of a nitrogen mustard DNA interstrand crosslink

Angelo Guainazzi
, Arthur J. Campbell
, Todor Angelov
, Carlos Simmerling
, Orlando D. Schärer

Laufer Center for Physical and Quantitative Biology

Stony Brook University

Stony Brook University
University of Zurich

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	12100-12103
Number of pages	4
Journal	Chemistry - A European Journal
Volume	16
Issue number	40
DOIs	https://doi.org/10.1002/chem.201002041
State	Published - Oct 25 2010

Keywords

DNA
antitumor agents
molecular dynamics
nitrogen mustard
oligonucleotides

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10.1002/chem.201002041

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title = "Synthesis and molecular modeling of a nitrogen mustard DNA interstrand crosslink",

abstract = "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.",

keywords = "DNA, antitumor agents, molecular dynamics, nitrogen mustard, oligonucleotides",

author = "Angelo Guainazzi and Campbell, \{Arthur J.\} and Todor Angelov and Carlos Simmerling and Sch{\"a}rer, \{Orlando D.\}",

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AU - Guainazzi, Angelo

AU - Campbell, Arthur J.

AU - Angelov, Todor

AU - Simmerling, Carlos

AU - Schärer, Orlando D.

PY - 2010/10/25

Y1 - 2010/10/25

N2 - 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.

AB - 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.

KW - DNA

KW - antitumor agents

KW - molecular dynamics

KW - nitrogen mustard

KW - oligonucleotides

UR - https://www.scopus.com/pages/publications/78249253019

U2 - 10.1002/chem.201002041

DO - 10.1002/chem.201002041

M3 - Article

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VL - 16

SP - 12100

EP - 12103

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 40

ER -

Synthesis and molecular modeling of a nitrogen mustard DNA interstrand crosslink

Abstract

Keywords

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