Myxobacterial depsipeptide chondramides interrupt SARS-CoV-2 entry by targeting its broad, cell tropic spike protein
Rey Arturo T. Fernandez, Mark Tristan J. Quimque, Kin Israel Notarte, Joe Anthony Manzano, Delfin Yñigo H. Pilapil, Von Novi de Leon, John Jeric San Jose, Omar Villalobos, Nisha Muralidharan, M. Michael Gromiha, Simone Brogi, Allan Patrick G. Macabeo
Abstract
against SARS-CoV-2 spike RBD of the Wuhan wild-type and the South African variant, respectively, where resulting complexes demonstrated dynamic stability within a 120-ns simulation time. Protein-protein binding experiments using HADDOCK illustrated weaker binding affinity for complexed chondramide ligands in the RBD against the studied host cell receptors. The chondramide derivatives in general possessed favorable pharmacokinetic properties, highlighting their potential as prototypic anti-COVID-19 drugs limiting viral attachment and possibly minimizing viral infection.Communicated by Ramaswamy H. Sarma.