Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents
A series of novel 1,3-diazetidin-2-one derivatives were designed, synthesized, and evaluated preliminary (In Vitro) for their cytotoxic activity against the lung (A549) cancer cell line. GOLD software (version 2021.2.0) was used to conduct a molecular docking study; the tested derivatives demonst...
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| Format: | Article |
| Language: | English |
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College of Pharmacy / Mustansiriyah University
2024-01-01
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| Series: | Al-Mustansiriyah Journal of Pharmaceutical Sciences |
| Subjects: | |
| Online Access: | https://ajps.uomustansiriyah.edu.iq/index.php/AJPS/article/view/1026 |
| _version_ | 1797223972029333504 |
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| author | farah haidar Monther Faisal Mahdi Ayad Kareem Khan |
| author_facet | farah haidar Monther Faisal Mahdi Ayad Kareem Khan |
| author_sort | farah haidar |
| collection | DOAJ |
| description |
A series of novel 1,3-diazetidin-2-one derivatives were designed, synthesized, and evaluated preliminary (In Vitro) for their cytotoxic activity against the lung (A549) cancer cell line. GOLD software (version 2021.2.0) was used to conduct a molecular docking study;
the tested derivatives demonstrated significant anticancer activity compared to the reference drug (erlotinib). PLP-fitness values for the final compounds are 79.81, 80.80, and 81.57, respectively, whereas the reference ligand, erlotinib, had a value of 76.20. The synthesized compounds were identified and characterized using physicochemical parameters (melting points and Rf values), FTIR, 1H-NMR, and 13C-NMR spectroscopy. According to the IC50 values for the synthesized derivatives, compounds N4a and N4b exhibit outstanding anti-proliferative activity with IC50 value of (7.51, 7.68) µM against A549 cell line, compared to erlotinib, which has an IC50 value of (11.5) µM.
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| first_indexed | 2024-04-24T13:45:42Z |
| format | Article |
| id | doaj.art-064ada82445448e7ae5357b745f1a60f |
| institution | Directory Open Access Journal |
| issn | 1815-0993 2959-183X |
| language | English |
| last_indexed | 2024-04-24T13:45:42Z |
| publishDate | 2024-01-01 |
| publisher | College of Pharmacy / Mustansiriyah University |
| record_format | Article |
| series | Al-Mustansiriyah Journal of Pharmaceutical Sciences |
| spelling | doaj.art-064ada82445448e7ae5357b745f1a60f2024-04-04T06:08:56ZengCollege of Pharmacy / Mustansiriyah UniversityAl-Mustansiriyah Journal of Pharmaceutical Sciences1815-09932959-183X2024-01-0124110.32947/ajps.v24i1.1026Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agentsfarah haidar0Monther Faisal Mahdi1Ayad Kareem Khan2Department of Pharmaceutical Chemistry, College of Pharmacy, Mustansiriyah University, Baghdad, IraqDepartment of Pharmaceutical Chemistry, College of Pharmacy, Mustansiriyah University, Baghdad, Iraq.Department of Pharmaceutical Chemistry, College of Pharmacy, Mustansiriyah University, Baghdad, Iraq. A series of novel 1,3-diazetidin-2-one derivatives were designed, synthesized, and evaluated preliminary (In Vitro) for their cytotoxic activity against the lung (A549) cancer cell line. GOLD software (version 2021.2.0) was used to conduct a molecular docking study; the tested derivatives demonstrated significant anticancer activity compared to the reference drug (erlotinib). PLP-fitness values for the final compounds are 79.81, 80.80, and 81.57, respectively, whereas the reference ligand, erlotinib, had a value of 76.20. The synthesized compounds were identified and characterized using physicochemical parameters (melting points and Rf values), FTIR, 1H-NMR, and 13C-NMR spectroscopy. According to the IC50 values for the synthesized derivatives, compounds N4a and N4b exhibit outstanding anti-proliferative activity with IC50 value of (7.51, 7.68) µM against A549 cell line, compared to erlotinib, which has an IC50 value of (11.5) µM. https://ajps.uomustansiriyah.edu.iq/index.php/AJPS/article/view/10261,3-diazetidin-2-oneDocking StudyLung Cancer |
| spellingShingle | farah haidar Monther Faisal Mahdi Ayad Kareem Khan Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents Al-Mustansiriyah Journal of Pharmaceutical Sciences 1,3-diazetidin-2-one Docking Study Lung Cancer |
| title | Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents |
| title_full | Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents |
| title_fullStr | Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents |
| title_full_unstemmed | Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents |
| title_short | Synthesis, Molecular Docking, Characterization, and Preliminary Evaluation of Some New 1, 3-Diazetidin-2-One Derivatives as Anticancer Agents |
| title_sort | synthesis molecular docking characterization and preliminary evaluation of some new 1 3 diazetidin 2 one derivatives as anticancer agents |
| topic | 1,3-diazetidin-2-one Docking Study Lung Cancer |
| url | https://ajps.uomustansiriyah.edu.iq/index.php/AJPS/article/view/1026 |
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