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.