• 文献标题:   Fe3O4-supported sulfonated graphene oxide as a green and magnetically separable nanocatalyst for synthesis of 2-amino-3-cyano-4H-chromene derivatives and their in-silico studies
  • 文献类型:   Article
  • 作  者:   SHARMA S, MEENA M, SHARMA H, YADAV DK, TIWARI A, VERMA VP
  • 作者关键词:   insilico studie, malononitrile, multicomponent reaction, onepot reaction, 2amino4hchromene
  • 出版物名称:   SYNTHETIC COMMUNICATIONS
  • ISSN:   0039-7911 EI 1532-2432
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1080/00397911.2022.2120404 EA SEP 2022
  • 出版年:   2022

▎ 摘  要

Under ultrasound irradiation, 17 examples of 2-Amino-3-cyano-4H-chromene derivatives were prepared via one-pot three components domino Knoevenagel-Michael condensation reaction of aliphatic/aromatic/heterocyclic aldehydes, malononitrile, and alpha-naphthol/beta-naphthol/resorcinol in the presence of Fe3O4-supported sulfonated graphene oxide as a green and magnetically separable nanocatalyst in H2O: EtOH (1:1) solvent system. FT-IR, TGA, SEM, and XRD were used to evaluate the catalyst. The current protocol is appealing because of high atom economy (95%), excellent yields (88-95%), its short reaction time, waste-free conditions, cost-effectiveness, use of a nontoxic solvent, lack of high temperature for reflux, non-chromatographic purification of products, recyclability of catalyst, etc. In-silico studies were conducted on the selected proteins DNA gyrase (1KZN) and CYP51 (4WMZ) to study the docking interactions with highest docking scores 4h (-8.8 kcal/mol) and 4e (-10.1 kcal/mol), respectively. ADME and Toxicity analysis of docked compounds and reference drugs were also done.