Crystal structure, chemical reactivity, kinetic and thermodynamic studies of new ligand derived from 4-hydroxycoumarin: Interaction with SARS-CoV-2

Publication Scientifique, Publication Scientifique Division Santé
Author links open overlay panel ChafiaAitRamdaneTerboucheaHasniaAbdeldjebaraAchourTerboucheaHouriaLakhdariaKhaldounBachariaThierryRoisnelbDidierHauchardc aCentre de Recherche Scientifique et Technique en Analyses Physico-chimiques(CRAPC), BP384, Bou-Ismail, RP 42004, Tipasa, AlgeriabUniv Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, F-35000, Rennes, FrancecUniv Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, F-35000 Rennes, France Received 12 May 2020, Revised 30 June 2020, Accepted 15 July 2020, Available online 16 July 2020. Abstract Currently, Covid-19 pandemic infects staggering number of people around the globe and causes a high rate of mortality. In order to fight this disease, a new coumarin derivative ligand (4-[(pyridin-3-ylmethyl) amino]-2H-chromen-2-one) (LTA) has been synthesized and characterized by single-crystal X-ray diffraction, NMR, ATR, UV-Visible and cyclic voltammetry. Chemical reactivity, kinetic and thermodynamic studies were investigated using DFT method. The possible binding mode between LTA and Main protease (Mpro) of SARS-CoV-2 and their reactivity were…
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