Synthesis of Functionalized 2′,5‐Oxo‐spiro[furan‐2,3′‐indoline]‐3‐carboxylate Derivatives as Antiproliferative Agents: ADMET Studies, and Molecular Docking against P2Y12 Inhibitors
Mohd Asif, Mohammad Saquib, Abdul Rahman Khan, Farrukh Aqil, Amani Salem Almalki, Fatmah Ali Alasmary, Jaya Singh, Malik Nasibullah
Abstract
Abstract Herein, we present a one‐pot, three‐component synthesis of spirooxindole‐oxofuran carboxylate derivatives ( 4 a – d ) through the Huisgen reaction. The newly synthesized spirocyclic compounds were tested for in vitro antiproliferative efficacy against 60 human cancer cell lines at the National Cancer Institute (NCI) in the United States. The screening results indicated that two spirooxindole compounds, 4 b and 4 c , possessed the strongest anti‐cancer efficacy in terms of percentage growth inhibition (% GI), with values of 34.17 and 38.19 at 10 −5 M concentration against the CNS cancer panel‘s SNB‐75 cell line, respectively. Furthermore, molecular docking investigations demonstrated the binding affinity for the P2Y12 receptor. The compound 4 c which exhibited strong antiproliferative activity with high binding energies might therefore, serve as a potential lead molecule for the development of more effective anti‐cancer agents.