دورية أكاديمية
Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives.
| العنوان: | Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives. |
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| المؤلفون: | Horishny, Volodymyr, Geronikaki, Athina, Kartsev, Victor, Matiychuk, Vasyl, Petrou, Anthi, Pogodin, Pavel, Poroikov, Vladimir, Papadopoulou, Theodora A, Vizirianakis, Ioannis S, Kostić, Marina, Ivanov, Marija, Soković, Marina |
| المصدر: | Molecules |
| بيانات النشر: | MDPI |
| سنة النشر: | 2022 |
| المجموعة: | RADaR - Digital Repository of Archived Publications Institute for Biological Research "Sinisa Stankovic" / РАДаР - Репозиторијум Архивираних Дигиталних Радова Институт за биолошка истраживања "Синиша Станковић" |
| مصطلحات موضوعية: | 4-oxo-2-thioxothiazolidine, CYP51, MurB, antibacterial, antifungal, biological activity prediction, docking, microdilution method |
| الوصف: | BACKGROUND Infectious diseases represent a significant global strain on public health security and impact on socio-economic stability all over the world. The increasing resistance to the current antimicrobial treatment has resulted in the crucial need for the discovery and development of novel entities for the infectious treatment with different modes of action that could target both sensitive and resistant strains. METHODS Compounds were synthesized using the classical organic chemistry methods. Prediction of biological activity spectra was carried out using PASS and PASS-based web applications. Pharmacophore modeling in LigandScout software was used for quantitative modeling of the antibacterial activity. Antimicrobial activity was evaluated using the microdilution method. AutoDock 4.2® software was used to elucidate probable bacterial and fungal molecular targets of the studied compounds. RESULTS All compounds exhibited better antibacterial potency than ampicillin against all bacteria tested. Three compounds were tested against resistant strains MRSA, P. aeruginosa and E. coli and were found to be more potent than MRSA than reference drugs. All compounds demonstrated a higher degree of antifungal activity than the reference drugs bifonazole (6-17-fold) and ketoconazole (13-52-fold). Three of the most active compounds could be considered for further development of the new, more potent antimicrobial agents. CONCLUSION Compounds 5b (Z)-3-(3-hydroxyphenyl)-5-((1-methyl-1H-indol-3-yl)methylene)-2-thioxothiazolidin-4-one and 5g (Z)-3-[5-(1H-Indol-3-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-benzoic acid as well as 5h (Z)-3-(5-((5-methoxy-1H-indol-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid can be considered as lead compounds for further development of more potent and safe antibacterial and antifungal agents. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | unknown |
| تدمد: | 1420-3049 |
| العلاقة: | info:eu-repo/grantAgreement/MESTD/inst-2020/200007/RS//; http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC8839324Test; http://radar.ibiss.bg.ac.rs/handle/123456789/4884Test; 2-s2.0-85124177154; 000760134900001; https://radar.ibiss.bg.ac.rs/bitstream/id/10257/molecules-27-01068-v2.pdfTest |
| DOI: | 10.3390/molecules27031068 |
| الإتاحة: | https://doi.org/10.3390/molecules27031068Test http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=PMC8839324Test http://radar.ibiss.bg.ac.rs/handle/123456789/4884Test https://radar.ibiss.bg.ac.rs/bitstream/id/10257/molecules-27-01068-v2.pdfTest |
| حقوق: | openAccess ; https://creativecommons.org/licenses/by/4.0Test/ ; BY ; © 2022 by the authors. Licensee MDPI, Basel, Switzerland. |
| رقم الانضمام: | edsbas.30C1A1BF |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 14203049 |
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| DOI: | 10.3390/molecules27031068 |