Extending the Library of 4‐Hydroxycoumarin Derivatives with Potential Pharmacological Activity by a Catalyst‐Free and Purification‐Free Method

Abstract

Constant mutations of SARS-CoV-2 from 2019 to the present commences potential dilemma to the efficacy of developed COVID-19 antiviral drugs. In this current report, series of 3phenyl(alkylamino)methyl-4-hydroxycoumarin was identified as compounds of drug-likeliness that, through molecular docking simulations, also demonstrated favourable binding to different sites of the SARS-CoV-2 RBD/hACE2 complex. This was achieved by varying the chain of the alkyl length and the substituent of the phenyl moiety. The subjected 3-phenyl(alkylamino)methyl-4-hydroxycoumarin compounds were successfully synthesized by a catalyst-free multicomponent condensation reaction of 4hydroxycoumarin, p-substituted benzaldehyde, and linear alkyl amines in dichloromethane (DCM) at 22 °C. The crude products were achieved in a moderate (40-50 %) to a very good (80-90 %) yield with excellent purity without the need for chemical purification verified by nuclear magnetic resonance (NMR) spectroscopy. The simple method to produce 3phenyl(alkylamino)methyl-4-hydroxycoumarin and the preliminary docking results present an opportunity for advancement in drug discovery.

Boosting the Performance of PEDOT:PSS Based Electronics Via Ionic Liquids

“…Similarly, Kee's team introduced another water‐soluble IL, 1‐ethyl‐3‐methylimidazolium dicyanoimidazolate (EMIM:DCIM), and tested the intrinsic mechanical properties of the PEDOT:PSS/EMIM:DCIM composites by stress–strain analysis. [ 132 ] As the EMIM: DCIM content in the composite material increased, the hybrid film exhibited soft features with a tensile strength of 13 MPa, Young's modulus of 56 MPa, and elongation at break of 23%. This IL‐induced softening of PEDOT:PSS films implied the plasticizing effect of ILs.…”