Ann Pharmacol Pharm | Volume 9, Issue 1 | Research Article | Open Access

Molecular Docking, Synthesis and Anti-diabetic Studies of Pyrimidine Derivatives

Khalid T¹, Kalsooom S²*, Anwar S³, Farrukh A4, Gao L¹*, Jafri L⁵, Saleem S⁶ and Qasim S⁷

¹Lab of New Energy Materials, College of Environmental Science and Engineering, Taiyuan University of Technology, China ²Department of Chemistry, PMAS-Arid Agriculture University, Rawalpindi, Pakistan ³SA-CIRBS, International Islamic University, Pakistan ⁴Department of Physics, PMAS-Arid Agriculture University, Pakistan 5Department of Biosciences, Abasyn University, Pakistan ⁶Health Services Academy, Islamabad, Pakistan ⁷Department of Chemistry, College of Sciences, Princess Nourah Bint Abdul Rahman University (PNU), Saudi Arabia

^*Correspondance to: Saima Kalsooom 

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Abstract

Pyrimidines are essential for the treatment of type-II diabetes and a variety of other diseases. The inhibition of the concentration of α-amylase enzyme is necessary for preventing starch breakdown. The primary objective of the study is to develop successful in silico protocol for the designing, synthesis and bio evaluation of pyrimidines derivatives. Five different pyrimidines derivatives were designed. Molecular docking studies were performed in order to see the binding mode of these designed pyrimidine derivatives in active site of anti-diabetic target. Based on binding interaction and stable docked energies, hits were identified. These designed and identified pyrimidine derivatives were further synthesized through the Claisen-Schmidt Condensation (CSC) of Aldehydes, 1,3-dicarbonyl compounds, and substituted urea. After their synthesis and characterization these were further evaluated for in vitro anti-diabetic behavior. Pyrimidine derivatives appear to be effective against diabetes type-II. In vitro studies have shown that all synthetic chemicals exhibit good anti-diabetic activity. Molecular docking studies were performed to investigate the anti-diabetic behavior of these synthesized compounds. Pyrimidines derivatives showed strong Hydrogen binding with target complex 1HNY. Both Docking and in vitro analysis of synthesized molecules showed that these compounds may be further used for detailed analysis of anti-diabetic behavior.

Keywords:

Pyrimidine derivatives; Molecular docking; Diabetes mellitus; Anti-diabetic assay

Citation:

Khalid T, Kalsooom S, Anwar S, Farrukh A, Gao L, Jafri L, et al. Molecular Docking, Synthesis and Anti-diabetic Studies of Pyrimidine Derivatives. Ann Pharmacol Pharm. 2024; 9(1): 1211..