The structure - Antituberculosis activity relationships study in a series of 5-(4-aminophenyl)-4-substituted-2,4-dihydro-3h-1,2,4- triazole-3-thione derivatives. A combined Electronic- Topological and Neural Networks approach

KANDEMİRLİ, Fatma; Shvets, Nathali; Ünsalan, Seda; Küçükgüzel, Ilkay; Rollas, Sevim; Kovalishyn, Vasyl; Dimoglo, Anatholy

doi:10.2174/157340606777724013

The structure - Antituberculosis activity relationships study in a series of 5-(4-aminophenyl)-4-substituted-2,4-dihydro-3h-1,2,4- triazole-3-thione derivatives. A combined Electronic- Topological and Neural Networks approach

Yazarlar (7)

Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye

Nathali Shvets Gebze Teknik Üniversitesi, Türkiye

Seda Ünsalan Marmara Üniversitesi, Türkiye

Ilkay Küçükgüzel Marmara Üniversitesi, Türkiye

Sevim Rollas
Marmara Üniversitesi, Türkiye

Vasyl Kovalishyn
Institute Of Bioorganic Chemistry And Petrochemistry Of National Academy Of Sciences Of Ukraine, Ukrayna

Anatholy Dimoglo
Gebze Teknik Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale)
Dergi Adı	Medicinal Chemistry
Dergi ISSN	1573-4064 Wos Dergi Scopus Dergi
Makale Dili	İngilizce	Basım Tarihi	07-2006
Cilt / Sayı / Sayfa	2 / 4 / 415–422	DOI	10.2174/157340606777724013
Makale Linki	https://www.benthamdirect.com/content/journals/mc/10.2174/157340606777724013
UAK Araştırma Alanları	Fen Bilimleri ve Matematik

Özet

Antituberculosis activity of several 5-(4-aminophenyl)-4-alkyl/aryl-2,4-dihydro-3H-1,2,4-triazole-3-thiones (1- 9) and their thiourea derivatives (10-31) were screened for their antimycobacterial activities against Mycobacterium tuberculosis H37Rv using the BACTEC 460 radiometric system. Of the synthesized compounds, 10-12, 30 were the most active derivatives exhibiting more than 90 % inhibition of mycobacterial growth at 12.5 μg/mL. Structure-activity relationships study was performed for the given series by using the Electronic-Topological Method combined with Neural Networks (ETM-NN). A system of prognosis was developed as the result of training associative neural network (ASNN) using weights of pharmacophoric fragments as descriptors. Descriptors were calculated by the projection of ETM compound and pharmacophoric fragments on the elements of Kohonen's self-organizing maps (SOM). From the …

Anahtar Kelimeler

Antituberculosis activity | Electronic-tropological method | Neural networks | Structure-activity relationships

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Atıf Sayıları
Scopus	1
Google Scholar	29

The structure - Antituberculosis activity relationships study in a series of 5-(4-aminophenyl)-4-substituted-2,4-dihydro-3h-1,2,4- triazole-3-thione derivatives. A combined Electronic- Topological and Neural Networks approach

Dergi Adı	Medicinal Chemistry
Yayıncı	Bentham Science Publishers
Açık Erişim	Hayır
ISSN	1573-4064
E-ISSN	1875-6638
CiteScore	4,5
SJR	0,380
SNIP	0,667

The structure - Antituberculosis activity relationships study in a series of 5-(4-aminophenyl)-4-substituted-2,4-dihydro-3h-1,2,4- triazole-3-thione derivatives. A combined Electronic- Topological and Neural Networks approach

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