The novel coronavirus disease (2019-nCoV) has been affecting global health since the end of 2019, and there is no sign that the epidemic is abating. Targeting the interaction between the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein and the human angiotensin-converting enzyme 2 (ACE2) receptor is a promising therapeutic strategy. In this study, surface plasmon resonance (SPR) was used as the primary method to screen a library of 960 compounds. A compound 02B05 (demethylzeylasteral, CAS number: 107316-88-1) that had high affinities for S-RBD and ACE2 was discovered, and binding affinities (K D , μM) of 02B05-ACE2 and 02B05-S-RBD were 1.736 and 1.039 μM, respectively. The results of a competition experiment showed that 02B05 could effectively block the binding of S-RBD to ACE2 protein. Furthermore, pseudovirus infection assay revealed that 02B05 could inhibit entry of SARS-CoV-2 pseudovirus into 293T cells to a certain extent at nontoxic concentration. The compoundobtained in this study serve as references for the design of drugs which have potential in the treatment of COVID-19 and can thus accelerate the process of developing effective drugs to treat SARS-CoV-2 infections.
【저자키워드】 COVID-19, SARS-CoV-2, ACE2, surface plasmon resonance, Receptor binding domain, protein–protein interaction inhibitors, 【초록키워드】 Treatment, coronavirus, 2019-nCoV, drug, novel coronavirus disease, SPR, binding affinity, Spike protein, Health, pseudovirus, S-RBD, receptor, experiment, SARS-CoV-2 infections, therapeutic strategy, binding, compounds, Interaction, Concentration, ACE2 protein, CAS, acute respiratory syndrome, human Angiotensin-converting enzyme, high affinity, treat, pseudovirus infection, targeting, the epidemic, was used, inhibit, affecting, accelerate, 293T cell, effective drug, entry of SARS-CoV-2, nontoxic, 【제목키워드】 technology, Human, SPR, SARS-CoV-2 RBD, blocking, Effect,