Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"
Autori
Božić, Aleksandra R.Bjelogrlić, Snežana K.
Novaković, Irena
Filipovic, Nenad R.
Petrović, Predrag M.
Marinković, Aleksandar D.
Todorović, Tamara
Cvijetić, Ilija
Skup podataka (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. Statistics of 2LV PLS model applying different CV procedures. Experimental Section: materials, methods, general procedure for synthesis of m-TCHs 1-11, general procedure for synthesis of b-TCHs 12-22,. Antimicrobial activity: agar diffusion method, Broth microdilution antimicrobial assay. Alignment-independent 3D QSAR models. Figure S1. 1H NMR spectrum of 3 in DMSO-d6. Figure S2.13C NMR spectrum of 3 in DMSO-d6. Figure S3. 1H NMR spectrum of 4 in DMSO-d6. Figure S4.13C NMR spectrum of 4 in DMSO-d6. Figure S5. 1H NMR spectrum of 6 in DMSO-d6. Figure S6.13C NMR spectrum of 6 in DMSO-d6. Additional references.
Ključne reči:
Antimicrobial activity / 3D-QSAR / GRIND methodology / ThiocarbohydrazonesIzvor:
Chemistryselect, 2018Izdavač:
- Wiley
Finansiranje / projekti:
- Proučavanje sinteze, strukture i aktivnosti organskih jedinjenja prirodnog i sintetskog porekla (RS-172013)
- Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (RS-172035)
- Interakcije prirodnih proizvoda, njihovih derivata i kompleksnih jedinjenja sa proteinima i nukleinskim kiselinama (RS-172055)
Napomena:
- The supporting information for: Božić, A. R., Bjelogrlić, S. K., Novaković, I., Filipovic, N. R., Petrović, P. M., Marinković, A. D., Todorović, T.,& Cvijetić, I. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. Chemistryselect, Wiley, 3(7), 2215-2221. https://doi.org/10.1002/slct.201702691
- The published version of the article: https://cer.ihtm.bg.ac.rs/handle/123456789/2329
Povezane informacije:
- Povezani sadržaj
https://doi.org/10.1002/slct.201702691 - Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/2329
Kolekcije
Institucija/grupa
IHTMTY - DATA AU - Božić, Aleksandra R. AU - Bjelogrlić, Snežana K. AU - Novaković, Irena AU - Filipovic, Nenad R. AU - Petrović, Predrag M. AU - Marinković, Aleksandar D. AU - Todorović, Tamara AU - Cvijetić, Ilija PY - 2018 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4480 AB - Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. Statistics of 2LV PLS model applying different CV procedures. Experimental Section: materials, methods, general procedure for synthesis of m-TCHs 1-11, general procedure for synthesis of b-TCHs 12-22,. Antimicrobial activity: agar diffusion method, Broth microdilution antimicrobial assay. Alignment-independent 3D QSAR models. Figure S1. 1H NMR spectrum of 3 in DMSO-d6. Figure S2.13C NMR spectrum of 3 in DMSO-d6. Figure S3. 1H NMR spectrum of 4 in DMSO-d6. Figure S4.13C NMR spectrum of 4 in DMSO-d6. Figure S5. 1H NMR spectrum of 6 in DMSO-d6. Figure S6.13C NMR spectrum of 6 in DMSO-d6. Additional references. PB - Wiley T2 - Chemistryselect T1 - Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models" UR - https://hdl.handle.net/21.15107/rcub_cer_4480 ER -
@misc{ author = "Božić, Aleksandra R. and Bjelogrlić, Snežana K. and Novaković, Irena and Filipovic, Nenad R. and Petrović, Predrag M. and Marinković, Aleksandar D. and Todorović, Tamara and Cvijetić, Ilija", year = "2018", abstract = "Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. Statistics of 2LV PLS model applying different CV procedures. Experimental Section: materials, methods, general procedure for synthesis of m-TCHs 1-11, general procedure for synthesis of b-TCHs 12-22,. Antimicrobial activity: agar diffusion method, Broth microdilution antimicrobial assay. Alignment-independent 3D QSAR models. Figure S1. 1H NMR spectrum of 3 in DMSO-d6. Figure S2.13C NMR spectrum of 3 in DMSO-d6. Figure S3. 1H NMR spectrum of 4 in DMSO-d6. Figure S4.13C NMR spectrum of 4 in DMSO-d6. Figure S5. 1H NMR spectrum of 6 in DMSO-d6. Figure S6.13C NMR spectrum of 6 in DMSO-d6. Additional references.", publisher = "Wiley", journal = "Chemistryselect", title = "Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"", url = "https://hdl.handle.net/21.15107/rcub_cer_4480" }
Božić, A. R., Bjelogrlić, S. K., Novaković, I., Filipovic, N. R., Petrović, P. M., Marinković, A. D., Todorović, T.,& Cvijetić, I.. (2018). Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models". in Chemistryselect Wiley.. https://hdl.handle.net/21.15107/rcub_cer_4480
Božić AR, Bjelogrlić SK, Novaković I, Filipovic NR, Petrović PM, Marinković AD, Todorović T, Cvijetić I. Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models". in Chemistryselect. 2018;. https://hdl.handle.net/21.15107/rcub_cer_4480 .
Božić, Aleksandra R., Bjelogrlić, Snežana K., Novaković, Irena, Filipovic, Nenad R., Petrović, Predrag M., Marinković, Aleksandar D., Todorović, Tamara, Cvijetić, Ilija, "Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"" in Chemistryselect (2018), https://hdl.handle.net/21.15107/rcub_cer_4480 .