Theoretical studies of a lithiated mitomycin analog

Autor:	J. D. Bunce, A. M. Sapse
Rok vydání:	1985
Předmět:	Antibiotic drug Stereochemistry Biophysics chemistry.chemical_element Cell Biology Aziridine Ring (chemistry) Nitrogen Atomic and Molecular Physics and Optics Ion chemistry.chemical_compound chemistry Nitrogen atom Atom Lithium Physics::Atomic Physics Physics::Chemical Physics Molecular Biology
Zdroj:	Journal of Biological Physics. 13:39-42
ISSN:	1573-0689 0092-0606
Popis:	The antitumor antibiotic drug mitomycin reacts with DNA via ring opening of one of its active sites, the aziridine ring. Since the opening of aziridine rings is facilitated by the addition of a positively charged atom to the nitrogen, the possibility of the addition of a lithium ion to a mitomycin analog is investigated withab initio Hartree-Fock calculations. The lithium-ion affinity of the mitomycin aziridine nitrogen atom is found to be 42 kcal/mol, after correcting for the superposition error.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::eb623b91553934c0e6c7bbb0e2383a8b https://doi.org/10.1007/bf01857793 Zobrazit plný text záznamu Full text from SpringerLink