Quantum-Chemical Investigations of 5-Bromo-2'-Deoxyuridine Derivatives with Antiviral Activity

Autor:	Ivanka G. Stankova, Alia Tadjer, Zhivko Velkov, Yasen Velkov
Rok vydání:	2006
Předmět:	chemistry.chemical_classification Quantum chemical chemistry.chemical_compound chemistry Stereochemistry Molecular descriptor Lipophilicity General Chemistry Prodrug Quantum chemistry Deoxyuridine Amino acid
Zdroj:	Collection of Czechoslovak Chemical Communications. 71:691-697
ISSN:	1212-6950 0010-0765
DOI:	10.1135/cccc20060691
Popis:	The article describes the results of semiempirical quantum-chemical calculations for a series of 3',5'-esters of 5-bromo-2'-deoxyuridine with amino acids or peptides. These compounds were synthesized and tested for antiviral activity as potential prodrugs of the parent 5-bromonucleoside. It was not clear why only some of the compounds were active. On the basis of structure investigation and the calculated molecular descriptors, it was found that the determining factor for obtaining appropriate prodrugs of 5-bromo-2'-deoxyuridine is the lipophilicity of the esters.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f9d91f4a0425d60275cb5cdad6e788bf https://doi.org/10.1135/cccc20060691 Zobrazit plný text záznamu