Omeed M Hassan1,
Tiba M Hameed2 
,
Hayder B Sahib3
For correspondence:- Tiba Hameed Email: teba.majed@nahrainuniv.edu.iq Tel:+9647724514664
Received: 11 May 2026 Accepted: 12 June 2026 Published: 29 June 2026
Citation: Hassan OM, Hameed TM, Sahib HB. Synthesis, characterization, molecular docking and pharmacokinetics of new pyrimidine carboxylate derivatives as potent VEGFR inhibitors. Trop J Pharm Res 2026; 25(6):815-822 doi: https://dx.doi.org/10.4314/tjpr.v25i6.7
© 2026 The authors.
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Purpose: To investigate the strategic design and synthesis of three new pyrimidine carboxylate derivatives aimed at inhibiting VEGFR signaling pathways to suppress tumor growth. Methods: A set of 3 new pyrimidine carboxylate derivatives was successfully synthesized via optimized chemical routes. Structural integrity of the synthesized compounds was characterized using advanced spectroscopic techniques, including FT-IR, 1H-NMR, and 13C-NMR. Furthermore, multidimensional in silico investigations were conducted to evaluate therapeutic potential. Results: Molecular docking simulations revealed that the 3 derivatives exhibited exceptional binding affinities within the vascular endothelial growth factor receptor (VEGFR) active site, forming stable complexes through a network of key hydrogen bonds and hydrophobic interactions with critical amino acid residues. Furthermore, comprehensive ADMET profiling predicted favorable pharmacokinetic properties and high oral bioavailability. Conclusion: This study shows that the synthesized pyrimidine carboxylates bind effectively with VEGFR active site, demonstrate favourable pharmacokinetic properties and high oral bioavailability.
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