Molecular Docking, Synthesis, Structure Illucidation, Admet Analysis and Biological Activity Evaluation of Some Fluorinated Chromene Derivatives

Abstract

The paper constitutes the exploration performed to developed new fluorinated chromene derivations by coupling response of separate fluorinated amino composites using suitable coupling reagents. The response is clean which enable too easy workup and good yield. Chromene derivations (3a- h) are synthesized by coupling response between different fluoro aniline derivations and 6-( trifluoromethyl) -3,4-dihydro-2H-chromene-2-carboxylic acid, N, N ’- Dicyclohexylcarbodiimide( DCC) and( 2-( 1H- benzotriazol-1-yl) hexafluorophosphate( HBTU) are used as a coupling reagent. N, N ’- Dicyclohexylcarbodiimide urea is formed as a side product during response which can remove by filtration. The response was rapid-fire and was conducted at room temperature with high- to- excellentyields, chromene derivations were assessed for tyrosinase and α- glucosidase inhibitory conditioning. Depended on IC50 values. All novel chromenes displayed significant α- glucosidase inhibition compared with reference (IC50 = 7.80 mM). Likewise, the capability of the studied composites to inhibit tyrosinase was estimated and set up to be moderate ‘In silico studies were performed to explore the list modes of the chromenes at the list point of α- glucosidase and tyrosinase. Molecular docking results revealed the significance of hydrogen cling, hydrophobic, π- π mounding, πcation, and essence relations between the target enzymes and the synthesized composites. Inclusively, the results attained in the current work indicated that the studied chromenes may be regarded as supereminent composites for designing new chemicals potentially effective in conditions similar as skin diseases and diabetes mellitus.