Identification of Potential Antiviral Inhibitors from Hydroxychloroquine and 1,2,4,5-Tetraoxanes Analogues and Investigation of the Mechanism of Action in SARS-CoV-2 by Ryan S. Ramos, Rosivaldo S. Borges, João S. N. de Souza, Inana F. Araujo, Mariana H. Chaves, Cleydson B. R. Santos

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Inhibition Kinetics and Theoretical Studies on <i>Zanthoxylum chalybeum</i> Engl. Dual Inhibitors of α-Glucosidase and α-Amylase by Njogu M. Kimani, Charles O. Ochieng, Mike Don Ogutu, Kevin Otieno Yamo, Joab Otieno Onyango, Cleydson B. R. Santos

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Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro by Rai C. Silva, Humberto F. Freitas, Joaquín M. Campos, Njogu M. Kimani, Carlos H. T. P. Silva, Rosivaldo S. Borges, Samuel S. R. Pita, Cleydson B. R. Santos

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Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2 by Ruan S. Bastos, Lúcio R. de Lima, Moysés F. A. Neto, Maryam, Numan Yousaf, Jorddy N. Cruz, Joaquín M. Campos, Njogu M. Kimani, Ryan S. Ramos, Cleydson B. R. Santos

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Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases by Guilherme M. Silva, Rosivaldo S. Borges, Kelton L. B. Santos, Leonardo B. Federico, Isaque A. G. Francischini, Suzane Q. Gomes, Mariana P. Barcelos, Rai C. Silva, Cleydson B. R. Santos, Carlos H. T. P. Silva

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Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1 by Moysés F. A. Neto, Joaquín M. Campos, Amanda P. M. Cerqueira, Lucio R. de Lima, Glauber V. Da Costa, Ryan Da S. Ramos, Jairo T. Magalhães Junior, Cleydson B. R. Santos, Franco H. A. Leite

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Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism by Rosivaldo S. Borges, Ivanete C. Palheta, Sirlene S. B. Ota, Roberto B. Morais, Valéria A. Barros, Ryan S. Ramos, Rai C. Silva, Josivan da S. Costa, Carlos H. T. P. Silva, Joaquín M. Campos, Cleydson B. R. Santos

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Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach by Rozires P. Leão, Josiane V. Cruz, Glauber V. da Costa, Jorddy N. Cruz, Elenilze F. B. Ferreira, Raí C. Silva, Lúcio R. de Lima, Rosivaldo S. Borges, Gabriela B. dos Santos, Cleydson B. R. Santos

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A Computational Approach Applied to the Study of Potential Allosteric Inhibitors Protease NS2B/NS3 from Dengue Virus by Renato A. da Costa, João A. P. da Rocha, Alan S. Pinheiro, Andréia do S. S. da Costa, Elaine C. M. da Rocha, Rai. C. Silva, Arlan da S. Gonçalves, Cleydson B. R. Santos, Davi do S. B. Brasil

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In Silico Study to Identify New Antituberculosis Molecules from Natural Sources by Hierarchical Virtual Screening and Molecular Dynamics Simulations by Vinícius de S. Pinto, Janay S. C. Araújo, Rai C. Silva, Glauber V. da Costa, Jorddy N. Cruz, Moysés F. De A. Neto, Joaquín M. Campos, Cleydson B. R. Santos, Franco H. A. Leite, Manoelito C. S. Junior

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Alkylated Sesamol Derivatives as Potent Antioxidants by Ivanete C. Palheta, Lanalice R. Ferreira, Joyce K. L. Vale, Osmarina P. P. Silva, Anderson M. Herculano, Karen R. H. M. Oliveira, Antonio M. J. Chaves Neto, Joaquín M. Campos, Cleydson B. R. Santos, Rosivaldo S. Borges

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Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches by Pedro H. F. Araújo, Ryan S. Ramos, Jorddy N. da Cruz, Sebastião G. Silva, Elenilze F. B. Ferreira, Lúcio R. de Lima, Williams J. C. Macêdo, José M. Espejo-Román, Joaquín M. Campos, Cleydson B. R. Santos

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Development of Potential Multi-Target Inhibitors for Human Cholinesterases and Beta-Secretase 1: A Computational Approach by Deyse B. Barbosa, Mayra R. do Bomfim, Tiago A. de Oliveira, Alisson M. da Silva, Alex G. Taranto, Jorddy N. Cruz, Paulo B. de Carvalho, Joaquín M. Campos, Cleydson B. R. Santos, Franco H. A. Leite

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Structure-based drug design for protein arginine deiminase Type IV (PAD4) receptor: Chemoinformatics approach by Cleydson B.R. Santos, Jorddy N. Cruz, Leonardo B. Federico, Suraj N. Mali, Njogu M. Kimani, Cleison C. Lobato, Rai C. Silva, José A.H.M. Bittencourt, Ruan S. Bastos, Renato A. da Costa, Carlos H.T.P. da Silva

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Identification of a Novel Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase: In Vitro and In Silico Studies by Raquel B. M. de Almeida, Deyse B. Barbosa, Mayra R. do Bomfim, Jéssika A. O. Amparo, Bruno S. Andrade, Silvia L. Costa, Joaquín M. Campos, Jorddy N. Cruz, Cleydson B. R. Santos, Franco H. A. Leite, Mariana B. Botura

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Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach by Luciane B. Silva, Elenilze F. B. Ferreira, Maryam, José M. Espejo-Román, Glauber V. Costa, Josiane V. Cruz, Njogu M. Kimani, Josivan S. Costa, José A. H. M. Bittencourt, Jorddy N. Cruz, Joaquín M. Campos, Cleydson B. R. Santos

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In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity by José A. H. M. Bittencourt, Moysés F. A. Neto, Pedro S. Lacerda, Renata C. V. S. Bittencourt, Rai C. Silva, Cleison C. Lobato, Luciane B. Silva, Franco H. A. Leite, Juliana P. Zuliani, Joaquín M. C. Rosa, Rosivaldo S. Borges, Cleydson B. R. Santos

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Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening by Elenilze F. B. Ferreira, Luciane B. Silva, Glauber V. Costa, Josivan S. Costa, Mayara A. T. Fujishima, Rozires P. Leão, André L. S. Ferreira, Leonardo B. Federico, Carlos H. T. P. Silva, Joaquín M. C. Rosa, Williams J. C. Macêdo, Cleydson B. R. Santos

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Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches by Kelton L. B. dos Santos, Jorddy N. Cruz, Luciane B. Silva, Ryan S. Ramos, Moysés F. A. Neto, Cleison C. Lobato, Sirlene S. B. Ota, Franco H. A. Leite, Rosivaldo S. Borges, Carlos H. T. P. da Silva, Joaquín M. Campos, Cleydson B. R. Santos

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Hierarchical Virtual Screening of Potential New Antibiotics from Polyoxygenated Dibenzofurans against <i>Staphylococcus aureus</i> Strains by Lana P. S. Oliveira, Lúcio R. Lima, Luciane B. Silva, Jorddy N. Cruz, Ryan S. Ramos, Luciana S. Lima, Francy M. N. Cardoso, Aderaldo V. Silva, Dália P. Rodrigues, Gabriela S. Rodrigues, Aldo A. Proietti-Junior, Gabriela B. dos Santos, Joaquín M. Campos, Cleydson B. R. Santos

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