TY  - JOUR
AU  - Silva, Rai C.
AU  - Freitas, Humberto F.
AU  - Campos, Joaquín 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
SN  - 1661-6596
UR  - http://hdl.handle.net/10668/4554
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
PB  - MDPI
KW  - COVID-19
KW  - 3CLpro
KW  - Natural products
KW  - Docking
KW  - Molecular dynamics
KW  - Druggability
KW  - ADMET properties
KW  - Antiviral
KW  - Ligands
KW  - Drug discovery
KW  - Drug design
KW  - Proteasas 3C de coronavirus
KW  - Productos biológicos
KW  - Simulación del acoplamiento molecular
KW  - Simulación de dinámica molecular
KW  - Antivirales
KW  - Ligandos
KW  - Descubrimiento de drogas
KW  - Diseño de fármacos
KW  - Medical Subject Headings::Chemicals and Drugs::Chemical Actions and Uses::Pharmacologic Actions::Therapeutic Uses::Anti-Infective Agents::Antiviral Agents
KW  - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Molecular Structure::Binding Sites
KW  - Medical Subject Headings::Chemicals and Drugs::Complex Mixtures::Biological Products
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Repositioning
KW  - Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Docking Simulation
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Dynamics Simulation
KW  - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Molecular Structure::Molecular Conformation::Protein Conformation
KW  - Medical Subject Headings::Diseases::Virus Diseases::RNA Virus Infections::Nidovirales Infections::Coronaviridae Infections::Coronavirus Infections
KW  - Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins::Viral Proteins::Viral Nonstructural Proteins
KW  - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Design
KW  - Medical Subject Headings::Geographical Locations::Geographic Locations::Americas::South America::Brazil
KW  - Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Amino Acids::Amino Acids, Cyclic::Histidine
KW  - Medical Subject Headings::Chemicals and Drugs::Chemical Actions and Uses::Specialty Uses of Chemicals::Laboratory Chemicals::Ligands
KW  - Medical Subject Headings::Health Care::Environment and Public Health::Public Health::Disease Outbreaks
TI  - Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro
TY  - research article
ER  -