biostudies-literatureNguyen HTQu? ??i m?i s?ng t?o VingroupViet Nam National University Ho Chi Minh City17432-17443https://www.ebi.ac.uk/biostudies/studies/S-EPMC9134431biostudies-literatureUnknown7(20)We report a new pathway to synthesize pyrano[2,3-<i>c</i>]pyrazoles and their binding mode to p38 MAP kinase. Pyrano[2,3-<i>c</i>]pyrazole derivatives have been prepared through a four-component reaction of benzyl alcohols, ethyl acetoacetate, phenylhydrazine, and malononitrile in the presence of sulfonated amorphous carbon and eosin Y as catalysts. All products were characterized by melting point, ¹H and ¹³C NMR, and HRMS (ESI). The products were screened <i>in silico</i> for their binding activities to both the ATP-binding pocket and the lipid-binding pocket of p38 MAP kinase, using a structure-based flexible docking provided by the engine ADFR. The results showed that eight synthesized compounds had a higher affinity to the lipid pocket than to the other target sitACS omegaA New Pathway for the Preparation of Pyrano[2,3-<i>c</i>]pyrazoles and molecular Docking as Inhibitors of p38 MAP Kinase.PMC9134431C2020-18-09VINIF.2020.TS.104Truong MHTran PHVo NTLe TVNguyen HTNguyen HDfalseA New Pathway for the Preparation of Pyrano[2,3-<i>c</i>]pyrazoles and molecular Docking as Inhibitors of p38 MAP Kinase.We report a new pathway to synthesize pyrano[2,3-<i>c</i>]pyrazoles and their binding mode to p38 MAP kinase. Pyrano[2,3-<i>c</i>]pyrazole derivatives have been prepared through a four-component reaction of benzyl alcohols, ethyl acetoacetate, phenylhydrazine, and malononitrile in the presence of sulfonated amorphous carbon and eosin Y as catalysts. All products were characterized by melting point, ¹H and ¹³C NMR, and HRMS (ESI). The products were screened <i>in silico</i> for their binding activities to both the ATP-binding pocket and the lipid-binding pocket of p38 MAP kinase, using a structure-based flexible docking provided by the engine ADFR. The results showed that eight synthesized compounds had a higher affinity to the lipid pocket than to the other target sit2022-01-01T00:00:00Z2022 May2026-05-10T01:43:47.01Z2025-02-19T02:58:53.216ZS-EPMC91344313564746910.1021/acsomega.2c01814