مورد إلكتروني
Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
| العنوان: | Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models |
|---|---|
| المؤلفون: | Božić, Aleksandra R. |
| المصدر: | Chemistryselect |
| بيانات النشر: | Wiley-V C H Verlag Gmbh, Weinheim 2018 |
| تفاصيل مُضافة: | Božić, Aleksandra R. Bjelogrlić, Snežana Novaković, Irena Filipović, Nenad Petrović, Predrag M. Marinković, Aleksandar D. Todorović, Tamara R. Cvijetić, Ilija N. |
| نوع الوثيقة: | Electronic Resource |
| مستخلص: | Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives. |
| مصطلحات الفهرس: | Antimicrobial activity, 3D-QSAR, GRIND methodology, Thiocarbohydrazones, article |
| URL: | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172055/RS |
| الإتاحة: | Open access content. Open access content ARR restrictedAccess |
| ملاحظة: | Chemistryselect |
| أرقام أخرى: | RSPST oai:aspace.agrif.bg.ac.rs:123456789/4753 2365-6549 10.1002/slct.201702691 2-s2.0-85042397433 000425627700040 1257540998 |
| المصدر المساهم: | UIVERSITY OF BELGRADE From OAIster®, provided by the OCLC Cooperative. |
| رقم الأكسشن: | edsoai.on1257540998 |
| قاعدة البيانات: | OAIster |
| الوصف غير متاح. |