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Unveiling the Potential of Ent -Kaurane Diterpenoids: Multifaceted Natural Products for Drug Discovery.
Published in:
Pharmaceuticals (14248247), 2024, v. 17, n. 4, p. 510, doi. 10.3390/ph17040510
By:
- Kibet, Shadrack;
- Kimani, Njogu M.;
- Mwanza, Syombua S.;
- Mudalungu, Cynthia M.;
- Santos, Cleydson B. R.;
- Tanga, Chrysantus M.
Publication type:
Article
Development of Potential Multi-Target Inhibitors for Human Cholinesterases and Beta-Secretase 1: A Computational Approach.
Published in:
Pharmaceuticals (14248247), 2023, v. 16, n. 12, p. 1657, doi. 10.3390/ph16121657
By:
- Barbosa, Deyse B.;
- do Bomfim, Mayra R.;
- de Oliveira, Tiago A.;
- da Silva, Alisson M.;
- Taranto, Alex G.;
- Cruz, Jorddy N.;
- de Carvalho, Paulo B.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.;
- Leite, Franco H. A.
Publication type:
Article
Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions.
Published in:
Pharmaceuticals (14248247), 2023, v. 16, n. 11, p. 1584, doi. 10.3390/ph16111584
By:
- Santos, Cleydson B. R.;
- Lobato, Cleison C.;
- Ota, Sirlene S. B.;
- Silva, Rai C.;
- Bittencourt, Renata C. V. S.;
- Freitas, Jofre J. S.;
- Ferreira, Elenilze F. B.;
- Ferreira, Marília B.;
- Silva, Renata C.;
- De Lima, Anderson B.;
- Campos, Joaquín M.;
- Borges, Rosivaldo S.;
- Bittencourt, José A. H. M.
Publication type:
Article
Hierarchical Virtual Screening of Potential New Antibiotics from Polyoxygenated Dibenzofurans against Staphylococcus aureus Strains.
Published in:
Pharmaceuticals (14248247), 2023, v. 16, n. 10, p. 1430, doi. 10.3390/ph16101430
By:
- Oliveira, Lana P. S.;
- Lima, Lúcio R.;
- Silva, Luciane B.;
- Cruz, Jorddy N.;
- Ramos, Ryan S.;
- Lima, Luciana S.;
- Cardoso, Francy M. N.;
- Silva, Aderaldo V.;
- Rodrigues, Dália P.;
- Rodrigues, Gabriela S.;
- Proietti-Junior, Aldo A.;
- dos Santos, Gabriela B.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.
Publication type:
Article
Identification of a Novel Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase: In Vitro and In Silico Studies.
Published in:
Pharmaceuticals (14248247), 2023, v. 16, n. 1, p. 95, doi. 10.3390/ph16010095
By:
- de Almeida, Raquel B. M.;
- Barbosa, Deyse B.;
- do Bomfim, Mayra R.;
- Amparo, Jéssika A. O.;
- Andrade, Bruno S.;
- Costa, Silvia L.;
- Campos, Joaquín M.;
- Cruz, Jorddy N.;
- Santos, Cleydson B. R.;
- Leite, Franco H. A.;
- Botura, Mariana B.
Publication type:
Article
Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach.
Published in:
Pharmaceuticals (14248247), 2020, v. 13, n. 9, p. 209, doi. 10.3390/ph13090209
By:
- Leão, Rozires P.;
- Cruz, Josiane V.;
- da Costa, Glauber V.;
- Cruz, Jorddy N.;
- Ferreira, Elenilze F. B.;
- Silva, Raí C.;
- de Lima, Lúcio R.;
- Borges, Rosivaldo S.;
- dos Santos, Gabriela B.;
- Santos, Cleydson B. R.
Publication type:
Article
Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos.
Published in:
Pharmaceuticals (14248247), 2019, v. 12, n. 2, p. 61, doi. 10.3390/ph12020061
By:
- V. da Costa, Glauber;
- Ferreira, Elenilze F. B.;
- da S. Ramos, Ryan;
- B. da Silva, Luciane;
- M. F. de Sá, Ester;
- K. P. da Silva, Alicia;
- M. Lobato, Cássio;
- N. P. Souto, Raimundo;
- T. de P. da Silva, Carlos Henrique;
- B. Federico, Leonardo;
- M. C. Rosa, Joaquín;
- B. R. dos Santos, Cleydson
Publication type:
Article
In Silico Study to Identify New Antituberculosis Molecules from Natural Sources by Hierarchical Virtual Screening and Molecular Dynamics Simulations.
Published in:
Pharmaceuticals (14248247), 2019, v. 12, n. 1, p. 36, doi. 10.3390/ph12010036
By:
- Pinto, Vinícius de S.;
- Araújo, Janay S. C.;
- Silva, Rai C.;
- da Costa, Glauber V.;
- Cruz, Jorddy N.;
- De A. Neto, Moysés F.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.;
- Leite, Franco H. A.;
- Junior, Manoelito C. S.
Publication type:
Article
Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2.
Published in:
International Journal of Molecular Sciences, 2023, v. 24, n. 10, p. 8814, doi. 10.3390/ijms24108814
By:
- Bastos, Ruan S.;
- de Lima, Lúcio R.;
- Neto, Moysés F. A.;
- Maryam;
- Yousaf, Numan;
- Cruz, Jorddy N.;
- Campos, Joaquín M.;
- Kimani, Njogu M.;
- Ramos, Ryan S.;
- Santos, Cleydson B. R.
Publication type:
Article
Identification of Potential New Aedes aegypti Juvenile Hormone Inhibitors from N-Acyl Piperidine Derivatives: A Bioinformatics Approach.
Published in:
International Journal of Molecular Sciences, 2022, v. 23, n. 17, p. 9927, doi. 10.3390/ijms23179927
By:
- Lima, Lúcio R.;
- Bastos, Ruan S.;
- Ferreira, Elenilze F. B.;
- Leão, Rozires P.;
- Araújo, Pedro H. F.;
- Pita, Samuel S. da R.;
- De Freitas, Humberto F.;
- Espejo-Román, José M.;
- Dos Santos, Edla L. V. S.;
- Ramos, Ryan da S.;
- Macêdo, Williams J. C.;
- Santos, Cleydson B. R.
Publication type:
Article
Identification of Potential Insect Growth Inhibitor against Aedes aegypti : A Bioinformatics Approach.
Published in:
International Journal of Molecular Sciences, 2022, v. 23, n. 15, p. 8218, doi. 10.3390/ijms23158218
By:
- Da Costa, Glauber V.;
- Neto, Moysés F. A.;
- Da Silva, Alicia K. P.;
- De Sá, Ester M. F.;
- Cancela, Luanne C. F.;
- Vega, Jeanina S.;
- Lobato, Cássio M.;
- Zuliani, Juliana P.;
- Espejo-Román, José M.;
- Campos, Joaquín M.;
- Leite, Franco H. A.;
- Santos, Cleydson B. R.
Publication type:
Article
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.
Published in:
International Journal of Molecular Sciences, 2022, v. 23, n. 3, p. 1781, doi. 10.3390/ijms23031781
By:
- Ramos, Ryan S.;
- Borges, Rosivaldo S.;
- de Souza, João S. N.;
- Araujo, Inana F.;
- Chaves, Mariana H.;
- Santos, Cleydson B. R.
Publication type:
Article
Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro.
Published in:
International Journal of Molecular Sciences, 2021, v. 22, n. 21, p. 11739, doi. 10.3390/ijms222111739
By:
- Silva, Rai C.;
- Freitas, Humberto F.;
- Campos, Joaquín M.;
- Kimani, Njogu M.;
- Silva, Carlos H. T. P.;
- Borges, Rosivaldo S.;
- Pita, Samuel S. R.;
- Santos, Cleydson B. R.
Publication type:
Article
Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases.
Published in:
International Journal of Molecular Sciences, 2021, v. 22, n. 15, p. 8252, doi. 10.3390/ijms22158252
By:
- Silva, Guilherme M.;
- Borges, Rosivaldo S.;
- Santos, Kelton L. B.;
- Federico, Leonardo B.;
- Francischini, Isaque A. G.;
- Gomes, Suzane Q.;
- Barcelos, Mariana P.;
- Silva, Rai C.;
- Santos, Cleydson B. R.;
- Silva, Carlos H. T. P.
Publication type:
Article
A comparative theoretical mechanism on simplified flavonoid derivatives and isoxazolone analogous as Michael system inhibitor.
Published in:
Journal of Molecular Modeling, 2021, v. 27, n. 2, p. 1, doi. 10.1007/s00894-020-04647-3
By:
- Santos, Kelton L. B.;
- Queiroz, Auriekson N.;
- Lobato, Cleison C.;
- Vale, Joyce K. L.;
- Santos, Cleydson B. R.;
- Borges, Rosivaldo S.
Publication type:
Article
Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics.
Published in:
Journal of Molecular Modeling, 2018, v. 24, n. 9, p. 1, doi. 10.1007/s00894-018-3756-y
By:
- Cruz, Josiane V.;
- Serafim, Rodolfo B.;
- da Silva, Gabriel M.;
- Giuliatti, Silvana;
- Rosa, Joaquín M. C.;
- Araújo Neto, Moysés F.;
- Leite, Franco H. A.;
- Taft, Carlton A.;
- da Silva, Carlos H. T. P.;
- Santos, Cleydson B. R.
Publication type:
Article
Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach.
Published in:
Molecules, 2023, v. 28, n. 3, p. 1035, doi. 10.3390/molecules28031035
By:
- Silva, Luciane B.;
- Ferreira, Elenilze F. B.;
- Maryam;
- Espejo-Román, José M.;
- Costa, Glauber V.;
- Cruz, Josiane V.;
- Kimani, Njogu M.;
- Costa, Josivan S.;
- Bittencourt, José A. H. M.;
- Cruz, Jorddy N.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.
Publication type:
Article
Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1.
Published in:
Molecules, 2022, v. 27, n. 20, p. 6777, doi. 10.3390/molecules27206777
By:
- Neto, Moysés F. A.;
- Campos, Joaquín M.;
- Cerqueira, Amanda P. M.;
- de Lima, Lucio R.;
- Da Costa, Glauber V.;
- Ramos, Ryan Da S.;
- Junior, Jairo T. Magalhães;
- Santos, Cleydson B. R.;
- Leite, Franco H. A.
Publication type:
Article
A Computational Approach Applied to the Study of Potential Allosteric Inhibitors Protease NS2B/NS3 from Dengue Virus.
Published in:
Molecules, 2022, v. 27, n. 13, p. 4118, doi. 10.3390/molecules27134118
By:
- Costa, Renato A. da;
- Rocha, João A. P. da;
- Pinheiro, Alan S.;
- Costa, Andréia do S. S. da;
- Rocha, Elaine C. M. da;
- Silva, Rai. C.;
- Gonçalves, Arlan da S.;
- Santos, Cleydson B. R.;
- Brasil, Davi do S. B.
Publication type:
Article
Chemical profiling of Curatella americana Linn leaves by UPLC-HRMS and its wound healing activity in mice.
Published in:
PLoS ONE, 2020, v. 15, n. 1, p. 1, doi. 10.1371/journal.pone.0225514
By:
- Fujishima, Mayara Amoras Teles;
- Sá, Dayse Maria Cunha;
- Lima, Carolina Miranda de Sousa;
- Bittencourt, José Adolfo H. M.;
- Pereira, Washington Luiz Assunção;
- Muribeca, Abraão de Jesus Barbosa;
- e Silva, Consuelo Yumiko Yoshioka;
- da Silva, Milton Nascimento;
- de Sousa, Francisco Fábio Oliveira;
- dos Santos, Cleydson B. R.;
- da Silva, Jocivania Oliveira
Publication type:
Article
Pharmacological Characteristics of the Hydroethanolic Extract of Acmella oleracea (L) R. K. Jansen Flowers: ADME/Tox In Silico and In Vivo Antihypertensive and Chronic Toxicity Evaluation.
Published in:
Evidence-based Complementary & Alternative Medicine (eCAM), 2023, p. 1, doi. 10.1155/2023/1278720
By:
- Rodrigues, Emanuelle T.;
- Peretti, Paulo;
- Bezerra, Roberto M.;
- Biancardi, Manoel F.;
- Sousa, Francisco F. O.;
- Mendes, Elizabeth P.;
- Dutra, João B. R.;
- Silveira, Carla C. R.;
- Castro, Carlos H.;
- Cruz, Jorddy N.;
- Santos, Cleydson B. R.;
- Santos, Fernanda C. A.;
- Pinheiro, Mayara T.
Publication type:
Article
Inhibition Kinetics and Theoretical Studies on Zanthoxylum chalybeum Engl. Dual Inhibitors of α-Glucosidase and α-Amylase.
Published in:
Journal of Xenobiotics, 2023, v. 13, n. 1, p. 102, doi. 10.3390/jox13010009
By:
- Kimani, Njogu M.;
- Ochieng, Charles O.;
- Ogutu, Mike Don;
- Yamo, Kevin Otieno;
- Onyango, Joab Otieno;
- Santos, Cleydson B. R.
Publication type:
Article
Theoretical study via DFT for the prediction of <sup>13</sup>C- and ¹H-NMR data for two diterpenoids derived from the root of Salvia grandifolia.
Published in:
Journal of the Serbian Chemical Society, 2019, v. 84, n. 6, p. 591, doi. 10.2298/JSC180927081D
By:
- da COSTA, RENATO A.;
- SILVA, SEBASTIÃO G.;
- de O. SILVA, SILVANA;
- CRUZ, JORDDY N.;
- da COSTA, WANESSA A.;
- dos SANTOS BRASIL, LUCIANE S. N.;
- SILVA, RAÍ C.;
- SANTOS, CLEYDSON B. R.;
- ALVES, CLÁUDIO N.;
- de S. BARROS BRASIL, DAVI
Publication type:
Article
Ligand- and structure-based virtual screening of 16-((diisobutylamino) methyl)-6α-hydroxyvouacapane-7β,17β-lactone, a compound with potential anti-prostate cancer activity.
Published in:
Journal of the Serbian Chemical Society, 2019, v. 84, n. 2, p. 153, doi. 10.2298/JSC180129047S
By:
- SILVA, RAÍ C.;
- POIANI, JOÃO G. C.;
- RAMOS, RYAN S.;
- COSTA, JOSIVAN S.;
- SILVA, CARLOS H. T. P.;
- BRASIL, DAVI S. B.;
- SANTOS, CLEYDSON B. R.
Publication type:
Article
Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches.
Published in:
Molecules, 2020, v. 25, n. 18, p. 4183, doi. 10.3390/molecules25184183
By:
- Araújo, Pedro H. F.;
- Ramos, Ryan S.;
- da Cruz, Jorddy N.;
- Silva, Sebastião G.;
- Ferreira, Elenilze F. B.;
- de Lima, Lúcio R.;
- Macêdo, Williams J. C.;
- Espejo-Román, José M.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.;
- Tutone, Marco
Publication type:
Article
Alkylated Sesamol Derivatives as Potent Antioxidants.
Published in:
Molecules, 2020, v. 25, n. 14, p. 3300, doi. 10.3390/molecules25143300
By:
- C. Palheta, Ivanete;
- R. Ferreira, Lanalice;
- K. L. Vale, Joyce;
- P. P. Silva, Osmarina;
- M. Herculano, Anderson;
- R. H. M. Oliveira, Karen;
- Neto, Antonio M. J. Chaves;
- M. Campos, Joaquín;
- B. R. Santos, Cleydson;
- S. Borges, Rosivaldo;
- Costa, Giosuè
Publication type:
Article
Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches.
Published in:
Molecules, 2020, v. 25, n. 5, p. 1245, doi. 10.3390/molecules25051245
By:
- Santos, Kelton L. B. dos;
- Cruz, Jorddy N.;
- Silva, Luciane B.;
- Ramos, Ryan S.;
- Neto, Moysés F. A.;
- Lobato, Cleison C.;
- Ota, Sirlene S. B.;
- Leite, Franco H. A.;
- Borges, Rosivaldo S.;
- Silva, Carlos H. T. P. da;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.
Publication type:
Article
Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening.
Published in:
Molecules, 2019, v. 24, n. 16, p. 2943, doi. 10.3390/molecules24162943
By:
- Ferreira, Elenilze F. B.;
- Silva, Luciane B.;
- Costa, Glauber V.;
- Costa, Josivan S.;
- Fujishima, Mayara A. T.;
- Leão, Rozires P.;
- Ferreira, André L. S.;
- Federico, Leonardo B.;
- Silva, Carlos H. T. P.;
- Rosa, Joaquín M. C.;
- Macêdo, Williams J. C.;
- Santos, Cleydson B. R.;
- Caballero, Julio
Publication type:
Article
In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity.
Published in:
Molecules, 2019, v. 24, n. 8, p. 1476, doi. 10.3390/molecules24081476
By:
- Bittencourt, José A. H. M.;
- Neto, Moysés F. A.;
- Lacerda, Pedro S.;
- Bittencourt, Renata C. V. S.;
- Silva, Rai C.;
- Lobato, Cleison C.;
- Silva, Luciane B.;
- Leite, Franco H. A.;
- Zuliani, Juliana P.;
- Rosa, Joaquín M. C.;
- Borges, Rosivaldo S.;
- Santos, Cleydson B. R.;
- Brogi, Simone
Publication type:
Article
Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism.
Published in:
Molecules, 2019, v. 24, n. 1, p. 143, doi. 10.3390/molecules24010143
By:
- Borges, Rosivaldo S.;
- Palheta, Ivanete C.;
- Ota, Sirlene S. B.;
- Morais, Roberto B.;
- Barros, Valéria A.;
- Ramos, Ryan S.;
- Silva, Rai C.;
- Costa, Josivan da S.;
- Silva, Carlos H. T. P.;
- Campos, Joaquín M.;
- Santos, Cleydson B. R.;
- Brogi, Simone
Publication type:
Article
Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening.
Published in:
Molecules, 2018, v. 23, n. 2, p. 453, doi. 10.3390/molecules23020453
By:
- Cruz, Josiane V.;
- Neto, Moysés F. A.;
- Silva, Luciane B.;
- da S. Ramos, Ryan;
- da S. Costa, Josivan;
- Brasil, Davi S. B.;
- Lobato, Cleison C.;
- da Costa, Glauber V.;
- Bittencourt, José Adolfo H. M.;
- da Silva, Carlos H. T. P.;
- Leite, Franco H. A.;
- Santos, Cleydson B. R.
Publication type:
Article
Cannabinoid Type 1 Receptor (CB1) Ligands with Therapeutic Potential for Withdrawal Syndrome in Chemical Dependents of Cannabis sativa.
Published in:
ChemMedChem, 2017, v. 12, n. 16, p. 1408, doi. 10.1002/cmdc.201700129
By:
- Ferreira, Jaderson V.;
- Chaves, Gisele A.;
- Marino, Bianca L. B.;
- Sousa, Kessia P. A.;
- Souza, Lucilene R.;
- Brito, Maiara F. B.;
- Teixeira, Hueldem R. C.;
- da Silva, Carlos H. T. P.;
- Santos, Cleydson B. R.;
- Hage‐Melim, Lorane I. S.
Publication type:
Article
Rational Approach toward COVID-19's Main Protease Inhibitors: A Hierarchical Biochemoinformatics Analysis.
Published in:
International Journal of Molecular Sciences, 2024, v. 25, n. 12, p. 6715, doi. 10.3390/ijms25126715
By:
- Bastos, Ruan S.;
- de Aguiar, Christiane P. O.;
- Cruz, Jorddy N.;
- Ramos, Ryan S.;
- Kimani, Njogu M.;
- de Souza, João S. N.;
- Chaves, Mariana H.;
- de Freitas, Humberto F.;
- Pita, Samuel S. R.;
- Santos, Cleydson B. R. dos
Publication type:
Article

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