TY - JOUR AU - Araújo, Pedro H.F. AU - Ramos, Ryan S. AU - da Cruz, Jorddy N. AU - Silva, Sebastiao G. AU - Ferreira, Elenilze F.B. AU - de Lima, Lúcio R. AU - Macedo, Williams J.C. AU - Espejo-Román, José M. AU - Campos, Joaquín M. AU - Santos, Cleydson B.R. PY - 2020 DO - 10.3390/molecules25184183 UR - http://hdl.handle.net/10668/3846 T2 - Molecules AB - Non-steroidal anti-inflammatory drugs are inhibitors of cyclooxygenase-2 (COX-2) that were developed in order to avoid the side effects of non-selective inhibitors of COX-1. Thus, the present study aims to identify new selective chemical entities for... LA - en PB - MDPI KW - In silico KW - COX-2 inhibitors KW - Molecular modeling KW - Simulación por computador KW - Inhibidores de la ciclooxigenasa 2 KW - Diseño de fármacos KW - Medical Subject Headings::Organisms::Eukaryota::Animals KW - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Molecular Structure::Binding Sites KW - Medical Subject Headings::Anatomy::Cells::Epithelial Cells::Caco-2 Cells KW - Medical Subject Headings::Chemicals and Drugs::Chemical Actions and Uses::Pharmacologic Actions::Therapeutic Uses::Anti-Inflammatory Agents::Anti-Inflammatory Agents, Non-Steroidal::Cyclooxygenase Inhibitors::Cyclooxygenase 2 Inhibitors KW - Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Carnivora::Canidae::Dogs KW - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Evaluation, Preclinical KW - Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans KW - Medical Subject Headings::Diseases::Pathological Conditions, Signs and Symptoms::Pathologic Processes::Inflammation KW - Medical Subject Headings::Phenomena and Processes::Physiological Phenomena::Pharmacological Phenomena::Inhibitory Concentration 50 KW - Medical Subject Headings::Chemicals and Drugs::Organic Chemicals::Lactones KW - Medical Subject Headings::Anatomy::Cells::Cells, Cultured::Cell Line::Madin Darby Canine Kidney Cells KW - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Models, Theoretical::Models, Molecular::Molecular Docking Simulation KW - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Molecular Structure KW - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Permeability KW - Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Chemical Processes::Biochemical Processes::Protein Binding KW - Medical Subject Headings::Phenomena and Processes::Physiological Phenomena::Pharmacological Phenomena::Structure-Activity Relationship::Quantitative Structure-Activity Relationship KW - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Epidemiologic Methods::Statistics as Topic::Regression Analysis KW - Medical Subject Headings::Information Science::Information Science::Computing Methodologies::Software KW - Medical Subject Headings::Chemicals and Drugs::Organic Chemicals::Sulfur Compounds::Sulfones KW - Medical Subject Headings::Information Science::Information Science::Computing Methodologies::Computer Simulation KW - Medical Subject Headings::Chemicals and Drugs::Chemical Actions and Uses::Pharmacologic Actions::Therapeutic Uses::Anti-Inflammatory Agents::Anti-Inflammatory Agents, Non-Steroidal::Cyclooxygenase Inhibitors::Cyclooxygenase 2 Inhibitors KW - Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Design TI - Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches TY - research article ER -