Abstract
AbstractConstant 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 3‐phenyl(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 4‐hydroxycoumarin, 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 3‐phenyl(alkylamino)methyl‐4‐hydroxycoumarin and the preliminary docking results present an opportunity for advancement in drug discovery.
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