Synthesis of novel 1,2,4-oxadiazole-isoxazoline hybrids and their in silico potential with adenosine receptors

• Pshtiwan S. Mohammed,
• Mohammed K. S. Dalo,
• Onur C. Yazıcı,
• Muhammet Yildirim and
• Akın Sağırlı

Beilstein J. Org. Chem. 2026, 22, 1033–1047, doi:10.3762/bjoc.22.82

• may contribute to drug discovery efforts by providing valuable insights for the design of more potent and selective inhibitors of the adenosine A1 receptor. ADMET studies An in silico ADMET analysis of the compounds with binding energy scores ≥ −9.5 kcal/mol (7d, 7j, 7n, 7o, 7s, 7t, 7u, 7w, 7x, 7ah

Design, synthesis and biological evaluation of 2,5-diaryloxazolo[4,5-d]pyrimidin-7-ylamines as selective cytotoxic agents against HeLa cells

• Maryna V. Kachaeva,
• Agnieszka B. Olejniczak,
• Marta Denel-Bobrowska,
• Victor V. Zhirnov,
• Yevheniia S. Velihina,
• Stepan G. Pilyo and
• Volodymyr S. Brovarets

Beilstein J. Org. Chem. 2026, 22, 390–398, doi:10.3762/bjoc.22.27

• , 7, and 9 were selective against the tested lines. Compound 9 can be classified as the most attractive and promising candidate for further development against cervical adenocarcinoma. Keywords: ADMET analysis; anticancer activity; 2,5-diaryloxazolo[4,5-d]pyrimidin-7-ylamines; Introduction Purine

• compounds was anywhere near the activity of paclitaxel against HeLa cells (SI = 2733.50). ADMET analysis ADMET (absorption, distribution, metabolism, excretion, toxicity) analysis performed among active in vitro anticancer compounds allows to identify the most promising agents to be sent to further stages

• platforms. Pharmacokinetic properties ADMET analysis enables the prediction of a compound's pharmacokinetic profile, which is crucial for assessing its pharmacodynamic activity. The predicted pharmacokinetic properties of compounds 1, 7 and 9 are given in Table 2. For human intestinal absorption, the