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%.
Macaev
Fliur
F
Institute of Chemistry, Academy of Sciences of Moldova, Chisinau, MD-2028, Republic of Moldova. flmacaev@cc.acad.md
Rusu
Ghenadie
G
Pogrebnoi
Serghei
S
Gudima
Alexandru
A
Stingaci
Eugenia
E
Vlad
Ludmila
L
Shvets
Nathaly
N
Kandemirli
Fatma
F
Dimoglo
Anatholy
A
Reynolds
Robert
R
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