Search results
- 1.0584976 - FZÚ 2025 RIV NL eng J - Journal Article
Ghasemi, L. - Abedi, A. - Abbasi, A. - Kučeráková, Monika - Dušek, Michal - Behzad, M.
Subtle structural variations in new mixed-ligand Cu(II) complexes with NN'O type unsymmetrical Schiff bases: Molecular docking against SARS-Cov-2 and its Omicron variant main proteases.
Inorganic Chemistry Communications. Roč. 159, Jan (2024), č. článku 111795. ISSN 1387-7003. E-ISSN 1879-0259
R&D Projects: GA MŠMT LM2023051
Institutional support: RVO:68378271
Keywords : Covid-19 * mixed-ligand * molecular docking * 6LU7-7TLL * Schiff base
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.8, year: 2022
Permanent Link: https://hdl.handle.net/11104/0352762 - 2.0583286 - ÚOCHB 2025 RIV NL eng J - Journal Article
Khaleel, E. F. - Sabt, A. - Korycka-Machala, M. - Badi, R. M. - Son, N. T. - Ha, N. X. - Hamissa, Mohamed Farouk - Elsawi, A. E. - Elkaeed, E. B. - Dziadek, B. - Eldehna, W. M. - Dziadek, J.
Identification of new anti-mycobacterial agents based on quinoline-isatin hybrids targeting enoyl acyl carrier protein reductase (InhA).
Bioorganic Chemistry. Roč. 144, March (2024), č. článku 107138. ISSN 0045-2068. E-ISSN 1090-2120
Institutional support: RVO:61388963
Keywords : biological activities * mycobacterium tuberculosis * InhA inhibitors * molecular docking * molecular dynamics Simulation
Impact factor: 5.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.bioorg.2024.107138
Permanent Link: https://hdl.handle.net/11104/0351289 - 3.0579006 - FZÚ 2024 RIV GB eng J - Journal Article
Esfahani, M.H. - Ghasemi, L. - Behzad, M. - Skořepová, Eliška - Dušek, Michal
Design, spectroscopic, and crystal structural characterization of new pyrazolone-Based Schiff bases: molecular docking investigations against SARS-Covid-19 main proteases (PDB Ids: 6LU7 and 7TLL).
Polycyclic Aromatic Compounds. Roč. 43, č. 10 (2023), s. 8933-8945. ISSN 1040-6638. E-ISSN 1563-5333
Institutional support: RVO:68378271
Keywords : Covid-19 * pyrazolone-based Schiff base * molecular docking
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1080/10406638.2022.2157026
Permanent Link: https://hdl.handle.net/11104/0347887 - 4.0578820 - ÚOCHB 2024 RIV DE eng J - Journal Article
Sabt, A. - Abdelraof, M. - Hamissa, Mohamed Farouk - Noamaan, M. A.
Antibacterial Activity of Quinoline-Based Derivatives against Methicillin-Resistant Staphylococcus aureus and Pseudomonas aeruginosa: Design, Synthesis, DFT and Molecular Dynamic Simulations.
Chemistry & Biodiversity. Roč. 20, č. 11 (2023), č. článku e202300804. ISSN 1612-1872. E-ISSN 1612-1880
Institutional support: RVO:61388963
Keywords : quinoline derivatives * methicillin-resistant Staphylococcus aureus (MRSA) * Pseudomonas aeruginosa * molecular docking * DFT * molecular dynamics simulation (MD)
OECD category: Physical chemistry
Impact factor: 2.9, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/cbdv.202300804
Permanent Link: https://hdl.handle.net/11104/0347728 - 5.0577711 - FZÚ 2024 RIV NL eng J - Journal Article
Pooyan, M. - Shariatinia, Z. - Mohammadpanah, F. - Gholivand, K. - Dušek, Michal - Eigner, Václav - Satari, M. - Ebrahimi Valmoozi, A.A.
In vitro cytotoxicity evaluation of organotin(IV) complexes derived from bisphosphoramide ligand: DNA binding and molecular docking studies.
Journal of Molecular Liquids. Roč. 13, Dec (2023), č. článku 123442. ISSN 0167-7322. E-ISSN 1873-3166
R&D Projects: GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : organotin(IV) complexes * bisphosphoramide ligands * molecular docking * cytotoxicity * DNA binding * anticancer activity
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.molliq.2023.123442
Permanent Link: https://hdl.handle.net/11104/0346828 - 6.0576231 - ÚEB 2024 RIV US eng J - Journal Article
Nath, R. - Baishya, D. - Nath, D. - Nahar, Lutfun - Sarker, S. D. - Choudhury, M. D. - Talukdar, A. D.
Identifying druggable targets from active constituents of Azadirachta indica A. Juss. for non-small cell lung cancer using network pharmacology and validation through molecular docking.
Phytochemical Analysis. Roč. 34, č. 7 (2023), s. 855-868. ISSN 0958-0344. E-ISSN 1099-1565
R&D Projects: GA ČR(CZ) GA23-05389S
Institutional support: RVO:61389030
Keywords : Azadirachta indica * molecular docking * network pharmacology * non-small cell lung cancer * phytocompounds
OECD category: Biochemistry and molecular biology
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/pca.3254
Permanent Link: https://hdl.handle.net/11104/0345803File Download Size Commentary Version Access 2023_Nath_Phytochemical Analysis_855.pdf 1 3.4 MB Other open-access - 7.0574796 - ÚOCHB 2024 RIV GB eng J - Journal Article
Maltarollo, V. G. - da Silva, E. B. - Kronenberger, T. - Andrade, M. M. S. - de Lima Marques, G. V. - Oliveira, N. J. C. - Santos, L. H. - de Oliveira Rezende Júnior, C. - Martinho, A. C. C. - Skinner, D. - Fajtová, Pavla - Fernandes, T. H. M. - da Silveira dos Santos, E. - Gazolla, P. A. R. - de Souza, A. P. M. - da Silva, M. L. - dos Santos, F. S. - Lavorato, S. N. - Bretas, A. C. O. - Carvalho, D. T. - Franco, L. L. - Luedtke, S. - Giardini, M. A. - Poso, A. - Dias, L. C. - Podust, L. M. - Alves, R. J. - McKerrow, J. - Andrade, S. F. - Teixeira, R. R. - Siqueira-Neto, J. L. - O'Donoghue, A. - de Oliveira, R. B. - Ferreira, R. S.
Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors.
Future Medicinal Chemistry. Roč. 15, č. 11 (2023), s. 959-985. ISSN 1756-8919. E-ISSN 1756-8927
Institutional support: RVO:61388963
Keywords : computer-aided drug design * coronavirus * molecular docking * molecular dynamics simulations * Mpro * protease inhibitors * SARS-CoV-2 * virtual screening
OECD category: Biochemistry and molecular biology
Impact factor: 4.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.4155/fmc-2023-0034
Permanent Link: https://hdl.handle.net/11104/0344832 - 8.0573828 - ÚFCH JH 2024 RIV IR eng J - Journal Article
Patel, N. - Modi, K. - Parikh, J. - Bhatt, K. - Patel, C. - Liška, Alan - Ludvík, Jiří
Computational and experimental insights into the synthesis and sensing of Ytterbium(III) with a phthalimide-functionalized cyclotriveratrylene ligand.
Journal of the Iranian Chemical Society. Roč. 20, JUN 2023 (2023), s. 2307-2318. ISSN 1735-207X. E-ISSN 1735-2428
R&D Projects: GA ČR(CZ) GA21-23261S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388955
Keywords : Cyclotricatechylene * Fluorescence * Molecular docking * Ytterbium sensing
OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impact factor: 2.4, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0344180File Download Size Commentary Version Access 0573828.pdf 0 3 MB Publisher’s postprint require - 9.0572971 - FZÚ 2024 RIV NL eng J - Journal Article
Mohammadlou, F. - Mansouri-Torshizi, H. - Dehghanian, E. - Eslami-Moghadam, M. - Dušek, Michal - Eigner, Václav
A new zinc(II) complex of 2-benzoimidazoledisulfide ligand: synthesis, X-ray crystallographic structure, investigation of CT-DNA and BSA interaction by spectroscopic techniques and molecular docking.
Journal of Photochemistry and Photobiology A-Chemistry. Roč. 443, Sept. (2023), č. článku 114830. ISSN 1010-6030. E-ISSN 1873-2666
R&D Projects: GA MŠMT LM2023051
Institutional support: RVO:68378271
Keywords : zinc(II) complex * 2-benzoimidazoledisulfide * CT-DNA * BSA * interaction * molecular docking
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.3, year: 2022
Method of publishing: Limited access
http://doi.org/10.1016/j.jphotochem.2023.114830
Permanent Link: https://hdl.handle.net/11104/0343504 - 10.0571503 - BC 2024 RIV GB eng J - Journal Article
Mulgaonkar, N. - Wang, H. - Mallawarachchi, S. - Růžek, Daniel - Martina, B. - Fernando, S.
In silico and in vitro evaluation of imatinib as an inhibitor for SARS-CoV-2.
Journal of Biomolecular Structure & Dynamics. Roč. 41, č. 7 (2023), s. 3052-3061. ISSN 0739-1102
R&D Projects: GA MZd(CZ) NU20-05-00472
Institutional support: RVO:60077344
Keywords : SARS-CoV-2 * covid-19 * betacoronavirus * acute respiratory disease * Wuhan * ace2 * surface structural spike glycoprotein * molecular docking * Bcr-Abl tyrosine kinase inhibitor * imatinib
OECD category: Microbiology
Impact factor: 4.4, year: 2022
Method of publishing: Open access
https://www.tandfonline.com/doi/abs/10.1080/07391102.2022.2045221?journalCode=tbsd20
Permanent Link: https://hdl.handle.net/11104/0343719