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1,3,4-thiadiazole derivatives. Synthesis, structure elucidation, and structure-antituberculosis activity relationship investigation

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dc.contributor.authorsOruc, EE; Rollas, S; Kandemirli, F; Shvets, N; Dimoglo, AS
dc.date.accessioned2022-03-12T17:17:43Z
dc.date.available2022-03-12T17:17:43Z
dc.date.issued2004
dc.description.abstractA series of 2,5-disubstituted-1,3,4-thiadiazoles were synthesized, the compounds structures were elucidated and screened for the antituberculosis activity against Mycobacterium tuberculosis H37Rv using the BACTEC 460 radiometric system. Among the tested compounds, 2-phenylamino-5-(4-fluorophenyl)-1,3,4-thiadiazole 22 showed the highest inhibitory activity. The relationships between the structures of compounds and their antituberculosis activity were investigated by the Electronic-Topological Method (ETM) and feed forward neural networks (FFNNs) trained with the back-propagation algorithm. As a result of the approach, a system of pharmacophores and anti-pharmacophores has been found that effectively separates compounds of the examination set into groups of active and inactive compounds. The system can be applied to the screening and design of new active compounds possessing skeletons similar to those used in the present study.
dc.identifier.doi10.1021/jm0495632
dc.identifier.eissn1520-4804
dc.identifier.issn0022-2623
dc.identifier.pubmed15615525
dc.identifier.urihttps://hdl.handle.net/11424/227890
dc.identifier.wosWOS:000225952400015
dc.language.isoeng
dc.publisherAMER CHEMICAL SOC
dc.relation.ispartofJOURNAL OF MEDICINAL CHEMISTRY
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectNEURAL-NETWORK
dc.subjectANTIMICROBIAL ACTIVITY
dc.subjectSUBSTITUTED 1,3,4-THIADIAZOLES
dc.subjectANTICONVULSANT ACTIVITY
dc.subjectTHIADIAZOLES
dc.subjectHETEROCYCLES
dc.subjectSERIES
dc.title1,3,4-thiadiazole derivatives. Synthesis, structure elucidation, and structure-antituberculosis activity relationship investigation
dc.typearticle
dspace.entity.typePublication
local.avesis.id59f52f3c-525c-489b-861d-ed08f76c6d26
local.import.packageSS17
local.indexed.atWOS
local.indexed.atSCOPUS
local.indexed.atPUBMED
local.journal.numberofpages8
oaire.citation.endPage6767
oaire.citation.issue27
oaire.citation.startPage6760
oaire.citation.titleJOURNAL OF MEDICINAL CHEMISTRY
oaire.citation.volume47

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