Methods for the Anti-inflammatory Synthesis, Molecular Modeling, and Biological Evaluation of Novel Pyrimidine Derivatives

Abstract

The 2-thioxo-1,2,3,4- tetrahydropyrimidine derivative 1 was synthesized using direct Biginelli condensation, and it was then employed in the synthesis of a novel series of pyrimidin-2-thione derivatives (2a-d to 7a-b) with the goal of generating new anti-inflammatory medicines. Using the carrageenan-induced rat paw edema test, we compared the anti-inflammatory effects of each chemical to those of ibuprofen, the gold standard in this field. SYBLYL-X v.2.1 was used for the molecular docking analyses. Docking tests demonstrate strong agreement with anti-inflammatory findings, and a sequence of pyrimidine derivatives made using a simple and readily accessible approach leads to a molecule with promise anti inflammatory action. To confirm the significance of these novel compounds for diverse applications, more study is needed.  Location and Timing of Education: Faculty of Pharmacy, Helwan University, Cairo, Egypt, Department of Pharmaceutical Organic Chemistry and Department of Pharmacology and Toxicology, February 2018 – March 2019. The compounds had anti-inflammatory effectiveness ranging from 61% to 86%, with ibuprofen performing at 69%. At 4 hours post-carrageenan, compounds 2a, 2b, 2c, 2d, 3a, 3b, 3c, 3d, 7a, 7b exhibited substantially different levels of anti-inflammatory action compared to ibuprofen.