Synthesis of novel 5-aryl-2-thio-1,3,4-oxadiazoles and the study of their structure–anti-mycobacterial activities

Autor:	Eugenia Stingaci, Serghei Pogrebnoi, Nathaly Shvets, Anatholy Dimoglo, Ghenadie Rusu, Robert C. Reynolds, Ludmila Vlad, Fatma Kandemirli, Alexandru Gudima, Fliur Macaev
Rok vydání:	2005
Předmět:	Models Molecular Molecular model Stereochemistry Clinical Biochemistry Antitubercular Agents Quantitative Structure-Activity Relationship Pharmaceutical Science Thio Microbial Sensitivity Tests Biochemistry Chemical synthesis Mycobacterium tuberculosis chemistry.chemical_compound Anti mycobacterial Drug Discovery Molecular Biology Antibacterial agent Oxadiazoles biology Chemistry Aryl Organic Chemistry biology.organism_classification In vitro Drug Design Computer-Aided Design Molecular Medicine Neural Networks Computer Rifampin
Zdroj:	Bioorganic & Medicinal Chemistry. 13:4842-4850
ISSN:	0968-0896
DOI:	10.1016/j.bmc.2005.05.011
Popis:	The preparation of novel 5-aryl-2-thio-1,3,4-oxadiazoles 4a-41 and the computer-aided study of their in vitro anti-tubercular activity against Mycobacterium tuberculosis H37Rv (ATCC 27294) are reported. The average accuracy of the electronic-topological method and neural network methods applied to the activity prediction in leave-one-out cross validation is 80%.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67122df3d262f87b8c594bdc84cfea1b https://doi.org/10.1016/j.bmc.2005.05.011 Zobrazit plný text záznamu Full Text from ScienceDirect