Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring

<b>Aim:</b> This work explores the eco-friendly synthesis of various heterocycles from a piperidine-based compound (<b>1</b>) and explore their potential as antitumor agents.<b>Materials & methods:</b> Ultrasonic irradiation was used to synthesize heterocycles like pyridone, thiophene and coumarin, with computational tools analyzing stability and biological interactions.<b>Results:</b> Compounds <b>9</b> and <b>14</b> exhibit strong cytotoxic activity, surpassing doxorubicin. Compounds <b>2</b>, <b>6</b>, <b>10</b> and <b>13</b> exhibited intermediate activity, while compounds <b>3</b>, <b>7</b> and <b>12</b> had minimal effects. Docking studies suggest potential ADORA1 receptor interaction. Computational tools analyze stability and interaction with biological systems, revealing potential antitumor mechanisms.<b>Conclusion:</b> Green synthesis of diverse heterocycles yielded potent antitumor agents (compounds <b>9</b> & <b>14</b>). DFT and Docking studies suggest interaction with ADORA1 receptor, a potential mechanism.