Structure-based identification of naphthoquinones and derivatives as novel inhibitors of main protease Mpro and papain-like protease PLpro of SARS-CoV-2

Santos, L. H., Kronenberger, T., Almeida, R. G., Silva, E. B., Rocha, R. E. O., Oliveira, J. C., Barreto, L. V., Skinner, D., Fajtová, P., Giardini, M. A., Woodworth, B., Bardine, C., Lourenço, A. L., Craik, C. S., Poso, A., Podust, L. M., McKerrow, J. H., Siqueira-Neto, J. L., O'Donoghue, A. J., Da Silva Júnior, E. N., Ferreira, R. S. Structure-based identification of naphthoquinones and derivatives as novel inhibitors of main protease Mpro and papain-like protease PLpro of SARS-CoV-2. Journal of Chemical Information and Modeling. 2022, 62(24), 6553-6573. ISSN 1549-9596. E-ISSN 1549-960X. Dostupné z: doi: 10.1021/acs.jcim.2c00693.