Synthesis of novel 5-aryl-2-thio-1,3,4-oxadiazoles and the study of their structure-anti-mycobacterial activities.
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%.
Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, MD-2028, Republic of Moldova. flmacaev@cc.acad.md
Fliur
F
Macaev
Ghenadie
G
Rusu
Serghei
S
Pogrebnoi
Alexandru
A
Gudima
Eugenia
E
Stingaci
Ludmila
L
Vlad
Nathaly
N
Shvets
Fatma
F
Kandemirli
Anatholy
A
Dimoglo
Robert
R
Reynolds
D000995:Antitubercular Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D017076:Computer-Aided Design; D015195:Drug Design; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D009169:Mycobacterium tuberculosis / Q000187:drug effects*; D016571:Neural Networks, Computer; D010069:Oxadiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D012293:Rifampin / Q000494:pharmacology
D000995:Antitubercular Agents; D010069:Oxadiazoles; D012293:Rifampin