TY - JOUR AU - Silva, Rai C AU - Freitas, Humberto F AU - Campos, JoaquĆ­n M AU - Kimani, Njogu M AU - Silva, Carlos H T P AU - Borges, Rosivaldo S AU - Pita, Samuel S R AU - Santos, Cleydson B R PY - 2021 DO - 10.3390/ijms222111739 UR - https://hdl.handle.net/10668/28049 T2 - International journal of molecular sciences AB - Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has received global attention due to the serious threat it poses to public health. Since the outbreak in December 2019, millions of people... LA - en KW - 3CLpro KW - ADMET properties KW - COVID-19 KW - docking KW - druggability KW - molecular dynamics KW - natural products KW - Antiviral Agents KW - Binding Sites KW - Biological Products KW - Coronavirus 3C Proteases KW - Drug Design KW - Drug Discovery KW - Drug Repositioning KW - Humans KW - Ligands KW - Molecular Docking Simulation KW - Molecular Dynamics Simulation KW - Protein Conformation KW - SARS-CoV-2 KW - Viral Nonstructural Proteins KW - COVID-19 Drug Treatment TI - Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro. TY - research article VL - 22 ER -