Targeting the Fusion Process of SARS-CoV-2 Infection by Small Molecule Inhibitors
Seung Bum Park, Parker Irvin, Zongyi Hu, Mohsin Khan, Xin Hu, Qiru Zeng, Catherine Chen, Miao Xu, Madeleine Leek, Ruochen Zang, James Brett Case, Wei Zheng, Siyuan Ding, T. Jake Liang
Abstract
assays and demonstrated their effective antiviral activity against SARS-CoV-2 and its variants. Cross-linking experiments and structural modeling suggest that the compounds bind to a hydrophobic pocket in spike protein to exert their inhibitory effect on the fusion step. These data suggest that both dichlorcyclizine and fluoxazolevir are promising candidates for further development as treatment for SARS-CoV-2.
Topics & Concepts
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)Small molecule2019-20 coronavirus outbreakProcess (computing)VirologyComputational biologyChemistryMedicineComputer scienceBiologyInfectious disease (medical specialty)DiseaseBiochemistryOutbreakOperating systemPathologySARS-CoV-2 and COVID-19 ResearchCOVID-19 Clinical Research StudiesComputational Drug Discovery Methods