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Synthesis of 2-Aminopyrimidine Derivatives and Their Evaluation as β-Glucuronidase Inhibitors: In Vitro and In Silico Studies.

ABSTRACT: Currently the discovery and development of potent β-glucuronidase inhibitors is an active area of research due to the observation that increased activity of this enzyme is associated with many pathological conditions, such as colon cancer, renal diseases, and infections of the urinary tract. In this study, twenty-seven 2-aminopyrimidine derivatives 1-27 were synthesized by fusion of 2-amino-4,6-dichloropyrimidine with a variety of amines in the presence of triethylamine without using any solvent and catalyst, in good to excellent yields. All synthesized compounds were characterized by EI-MS, HREI-MS and NMR spectroscopy. Compounds 1-27 were then evaluated for their β-glucuronidase inhibitory activity, and among them, compound 24 (IC50 = 2.8 ± 0.10 µM) showed an activity much superior to standard D-saccharic acid 1,4-lactone (IC50 = 45.75 ± 2.16 µM). To predict the binding mode of the substrate and β-glucuronidase, in silico study was performed. Conclusively, this study has identified a potent β-glucuronidase inhibitor that deserves to be further studied for the development of pharmaceutical products.

SUBMITTER: Iqbal S 

PROVIDER: S-EPMC9693052 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature

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Synthesis of 2-Aminopyrimidine Derivatives and Their Evaluation as <i>β</i>-Glucuronidase Inhibitors: In Vitro and In Silico Studies.

Iqbal Sarosh S   Shaikh Nimra Naveed NN   Khan Khalid Mohammed KM   Kiran Shumaila S   Naz Sehrish S   Ul-Haq Zaheer Z   Perveen Shahnaz S   Choudhary M Iqbal MI  

Molecules (Basel, Switzerland) 20221111 22

Currently the discovery and development of potent <i>β</i>-glucuronidase inhibitors is an active area of research due to the observation that increased activity of this enzyme is associated with many pathological conditions, such as colon cancer, renal diseases, and infections of the urinary tract. In this study, twenty-seven 2-aminopyrimidine derivatives <b>1-27</b> were synthesized by fusion of 2-amino-4,6-dichloropyrimidine with a variety of amines in the presence of triethylamine without usi  ...[more]

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