Novel pyrimidine derivatives: Synthesis, Molecular Docking Studies, and structure activity relationship | ||
| Bulletin of Faculty of Science, Zagazig University | ||
| Article 4, Volume 2023, Issue 3, October 2023, Pages 44-52 PDF (1.26 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/bfszu.2023.181777.1228 | ||
| Author | ||
| Bassant Farag Abdo* | ||
| Department of Chemistry, Faculty of Science, Zagazig University, Zagazig 44519, Egypt | ||
| Abstract | ||
| Novel 5-substituted uracil have been synthesized as part of a research. The interaction of 6-amino uracil (1) and aromatic aldehyde 2 in conc. hydrochloric acid gives the Novel 5-substituted uracil 3a, b in good yield. The usage of IR, 1H- NMR, 13C- NMR, and mass spectra to examine the composites' structural details. The computational Chemistry program MOE (2015) was used to investigate molecular docking, using reference substance with studying their SAR (structure activity relationship). The database's examination of molecular docking to investigate the proposed a style of action (PDB code: 7JXQ, resolution: 1.83). Although epidermal growth factor receptor small molecule therapy to lung cancer. EGFR allosteric inhibitor that binds to an alternative site on EGFR were developed to treat cancers with mutations in the EGFR that cause resistance to existing ATP-competitive EGFR. The authors also created a tentative molecular docking research that was successful for the produced molecules 3a, b with EGFR enzyme (PDB ID: 7JXQ). Compound 3b more active than compound 3a according to docking and SAR studies | ||
| Keywords | ||
| : 6-aminouracil; Molecular docking; and EGFR | ||
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