Abstract
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%.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, Non-U.S. Gov't
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Research Support, U.S. Gov't, Non-P.H.S.
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Research Support, U.S. Gov't, P.H.S.
MeSH terms
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Antitubercular Agents / chemical synthesis*
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Antitubercular Agents / chemistry
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Antitubercular Agents / pharmacology*
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Computer-Aided Design
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Drug Design
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Microbial Sensitivity Tests
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Models, Molecular
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Mycobacterium tuberculosis / drug effects*
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Neural Networks, Computer
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Oxadiazoles / chemical synthesis*
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Oxadiazoles / chemistry
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Oxadiazoles / pharmacology*
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Quantitative Structure-Activity Relationship
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Rifampin / pharmacology
Substances
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Antitubercular Agents
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Oxadiazoles
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Rifampin