Selection of Bis-Indolyl Pyridines and Triphenylamines as New Inhibitors of SARS-CoV-2 Cellular Entry by Modulating the Spike Protein/ACE2 Interfaces
Delphine Lapaillerie, Cathy Charlier, Veronique Guyonnet‐Dupérat, Émilie Murigneux, Henrique S. Fernandes, Fábio G. Martins, Rita P. Magalhães, Tatiana F. Vieira, Clémence Richetta, Frédéric Subra, Samuel Lebourgeois, Charlotte Charpentier, Diane Descamps, Benoît Visseaux, Pierre Weigel, Alexandre Favereaux, Claire Beauvineau, Frédéric Buron, Marie‐Paule Teulade‐Fichou, Sylvain Routier, Sarah Gallois‐Montbrun, Laurent Meertens, Olivier Delelis, Sérgio F. Sousa, Vincent Parissi
Abstract
) between 0.1 and 0.5 μM depending on the cell lines. Molecular docking calculations of the interaction parameters of the molecules within the S/ACE2 complex from both wild-type and circulating variants of the virus showed that the molecules may target multiple sites within the S/ACE2 interface. Our work indicates that AB-00011778 constitutes a good tool for modulating this interface and a strong lead compound for further therapeutic purposes.