Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"
Authors
Božić, Aleksandra R.
Bjelogrlić, Snežana K.

Novaković, Irena

Filipovic, Nenad R.
Petrović, Predrag M.

Marinković, Aleksandar D.

Todorović, Tamara

Cvijetić, Ilija

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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.
Keywords:
Antimicrobial activity / 3D-QSAR / GRIND methodology / ThiocarbohydrazonesSource:
Chemistryselect, 2018Publisher:
- Wiley
Funding / projects:
- Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds (RS-172013)
- Rational design and synthesis of biologically active and coordination compounds and functional materials, relevant for (bio)nanotechnology (RS-172035)
- Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
Note:
- 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
Related info:
- Referenced by
https://doi.org/10.1002/slct.201702691 - Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/2329
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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 .