2023
Gomes, S. Q.; Federico, L. B.; Silva, G. M.; Lopes, C. D.; Albuquerque, S.; Silva, C. H. T. P., Ligand-based virtual screening, molecular dynamics, and biological evaluation of repurposed drugs as inhibitors of Trypanosoma cruzi proteasome, Journal Of Biomolecular Structure & Dynamics, 41, 00-000, 2023, http://dx.doi.org/10.1080/07391102.2023.2182129
2022
Souza, F. N.; Lima, H. B.; Souza, L. R.; S.oliveira, G.; silva, C. H. T. P.; Hage-melim, L. I. S, Design of Multitarget Natural Products Analogs with Potential Anti-Alzheimer?s Activity, Current Computer-aided Drug Design, 18, 120-149, 2022, http://dx.doi.org/10.2174/1573409918666220328141605
Barros, S. E. L.; Lima, H. B.; Goncalves, L. K. A.; Correia, L. C.; Brito, M. F. B.; Barcellos, M. P.; Silva, G. M.; silva, C. H. T. P.; Costa, R. G.; Cruz, R. A. S.; Carvalho, J. C. T.; Hage-melim, L. I. S, Chromatographic profile, in silico and in vivo study of the pharmacokinetic and toxicological properties of major constituent present in kefir, the kefiran, Toxicology Research, 11, 520-528, 2022, http://dx.doi.org/10.1093/toxres/tfac032
Silva, E. F.; Fernandes, K. H. A.; Diedrich, D.; Gotardi, J.; Franco, M. S. F.; silva, Carlos H. T. P.; Souza, A. P. D.; Gnoatto, S. C. B, New triazole-substituted triterpene derivatives exhibiting anti-RSV activity: synthesis, biological evaluation, and molecular modeling, Beilstein Journal Of Organic Chemistry, 18, 1524-1531, 2022, http://dx.doi.org/10.3762/bjoc.18.161
Santos, I. V. F.; Silva, G. M.; Lima, L. R.; Bastos, R. S.; Ramos, R. S.; Silva, L. B.; silva, C. H. T. P.; Borges, R. S.; santos, C. B. R., Hierarchical Virtual Screening Based on Rocaglamide Derivatives to Discover New Potential Anti-Skin Cancer Agents, Frontiers In Molecular Biosciences, 9, 00-000, 2022, http://dx.doi.org/10.3389/fmolb.2022.836572
Costa, D. C.; Teixeira, H. R. C.; silva, R. C.; Francischini, I. A. G.; silva, C. H. T. P.; Hage-melim, L. I. S., In silico Study of Acetylcholinesterase and Beta-secretase Inhibitors:Potential Multitarget Anti-Alzheimer?s Agents, Central Nervous System Agents In Medicinal Chemistry, 22, 139-150, 2022, http://dx.doi.org/10.2174/1871524922666220517110606
Correia, L. C.; Ferreira, J. V.; Lima, H. B.; Silva, G. M.; silva, Carlos H. T. P.; Molfetta, F. A.; hage-melim, L. I. S., Pharmacophore-based virtual screening from phytocannabinoids as antagonist r-CB1, Journal Of Molecular Modeling, 28, 00-000, 2022, http://dx.doi.org/10.1007/s00894-022-05219-3
Lima, H. B.; Ferreira, J. V.; Nery, M. L.; Chaves, G. A.; Costa, A. L. P.; Souza, L. R.; Marino, B. L. B.; Brito, M. F. B.; Teixeira, H. R. C.; silva, Carlos H. T. P.; Taft, Carlton A.; Hage-melim, L. I. S., Antiparkinsonian Potential of Natural Products: Molecular Docking, Prediction of Pharmacokinetic and Toxicological Properties, Current Physical Chemistry, 12, 00-000, 2022, http://dx.doi.org/10.1007/s00894-022-05219-3
Lima, H. B.; Ferreira, J. V.; Chaves, G. A.; Batista, M. A.; Correia, L. C.; Souza, L. R.; silva, Carlos H. T. P.; Taft, Carlton A.; Hage-melim, L. I. S., In Silico Design of Molecular Analogues of 2-Butyl-5- pentylbenzene-1,3-diol (Stemphol) as Drug Prototypes for Treatment of Chemical Dependents of Cannabis Sativa, Current Physical Chemistry, 12, 000-0000, 2022, http://dx.doi.org/10.2174/1877946812666220919105403
2021
Barros, Susy Érika De Lima; Rocha, Caique Dos Santos; Pegrucci Barcelos, Mariana; silva, Carlos H. T. P.; Moura, Mayara Storel Beserra De; Hage-melim, Lorane I. S, POTENTIAL BENEFICIAL EFFECTS OF KEFIR AND ITS POSTBIOTIC, KEFIRAN, ON CHILD FOOD ALLERGY, Food & Function, 12, 3770-3786, 2021, http://dx.doi.org/10.1039/d0fo03182h
Conceição, Neuziane Dias; De Souza, Lucilene Rocha; Ferreira, Jaderson Vieira; De Fátima Brito Brito, Maiara; Pinheiro, Abraão Alves; Da Silva, Karina Rufino; Taft, Carlton Anthony; de Paula Da Silva, Carlos Henrique Tomich; Fonseca Gomes, Madson Ralide; Da Silva Hage-melim, Lorane Izabel, Molecular Modeling of Substances Isolated from the Essential Oil of the Species Drimys angustifolia and Drimys brasiliensis, Current Physical Chemistry, 11, 4-17, 2021, http://dx.doi.org/10.2174/1877946810666200124142439
Rodrigues, Débora Munhoz; Portapilla, Gisele Bulhões; Silva, Guilherme Martins; Duarte, Andressa; Rotta, Cristiana Gonçalez; da Silva, Carlos Henrique Tomich De Paula; De Albuquerque, Sérgio; bastos, Jairo Kenupp; Campo, Vanessa Leiria, Synthesis, antitumor activity and in silico analyses of amino acid derivatives of artepillin C, drupanin and baccharin from green propolis, Bioorganic & Medicinal Chemistry, 47, 116372-116385, 2021, http://dx.doi.org/10.1016/j.bmc.2021.116372
Cruz, J. V.; Giulliati, S.; Alves, L. B.; silva, R. C.; Ferreira, E. F. B.; Kimani, N. M.; silva, C. H. T. P.; Souza, J. S. N.; Espejo-roman, J. M.; santos, C. B. R., Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches, Journal Of Biomolecular Structure & Dynamics, 1-23, 2021, http://dx.doi.org/10.1080/07391102.2020.1871413
Silva, G. M.; Borges, R. S.; Santos, K. L. B.; federico, L. B.; Francischini, I. A. G.; Gomes, S. Q.; Barcellos, M. P.; silva, R. C.; Santos, C. B. R.; Silva, C. H. T. P., Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases, International Journal Of Molecular Sciences, 22, 8252-8278, 2021, http://dx.doi.org/10.3390/ijms22158252
Federico, Leonardo Bruno; Silva, Guilherme Martins; Da Silva Hage-melim, Lorane Izabel; Gomes, Suzane Quintana; Barcelos, Mariana Pegrucci; Galindo Francischini, Isaque Antônio; tomich De Paula Da Silva, Carlos Henrique, Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening, Future Medicinal Chemistry, 13, 1353-1366, 2021, http://dx.doi.org/10.4155/fmc-2021-0025
Federico, Leonardo Bruno; Silva, Guilherme Martins; Gomes, Suzane Quintana; Francischini, Isaque Antonio Galindo; Barcelos, Mariana Pegrucci; Dos Santos, Cleydson Breno Rodrigues; Costa, Luciano T.; Campos Rosa, Joaquín María; de Paula Da Silva, Carlos Henrique Tomich, Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA, Computers In Biology And Medicine, 137, 104817-104827, 2021, http://dx.doi.org/10.1016/j.compbiomed.2021.104817
Silva, R. C.; Freitas, H. F.; Campos, J. M.; Kimani, N. M.; silva, C. H. T. P.; Borges, R. S.; Pita, S. S. R.; santos, C. B. R., Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro, International Journal Of Molecular Sciences, 22, 11739-11762, 2021, http://dx.doi.org/10.3390/ijms222111739
2020
Mattos, E. C.; Silva, L. P.; Valero, C.; Ribeiro, L. F. C.; Marten, M. R.; Silva-rocha, R.; Westmann, C.; silva, C. H. T. P.; Taft, C. A.; Bromley, M.; Mortensen, U. H.; Goldman, G. H, The Phosphoproteome Reveals Roles of High-Osmolarity Glycerol Mitogen-Activated Protein Kinases in Promoting Cell Wall Damage and Caspofungin Tolerance, Mbio, 11, 1-23, 2020, http://dx.doi.org/10.1128/mBio.02962-19
M. Neto, R. A.; santos, C. B. R.; Henriques, S. V. C.; Machado, L. O.; Cruz, J. N.; silva, C. H. T. P.; Federico, L. B.; Oliveira, E. H. C.; Souza, M. P. C.; Silva, P. N. B.; taft, C. A.; Ferreira, I. M.; Gomes, M. R. F, Novel chalcones derivatives with potential antineoplastic activity investigated by docking and molecular dynamics simulations, Journal Of Biomolecular Structure & Dynamics, ?, 1-13, 2020, http://dx.doi.org/10.1080/07391102.2020.1839562
Marino, Bianca L.b.; De Souza, Lucilene R.; Sousa, Kessia P.a.; Ferreira, Jaderson V.; Padilha, Elias C.; da Silva, Carlos H.t.p.; Taft, Carlton A.; Hage-melim, Lorane I.s, Parkinson?s Disease: A Review from Pathophysiology to Treatment, Mini-reviews In Medicinal Chemistry, 20, 754-767, 2020, http://dx.doi.org/10.2174/1389557519666191104110908
Ramos, Ryan S.; Macêdo, Williams J. C.; Costa, Josivan S.; da Silva, Carlos H. T. De P.; Rosa, Joaquín M. C.; Da Cruz, Jorddy Neves; De Oliveira, Mozaniel S.; De Aguiar Andrade, Eloisa H.; E Silva, Raullyan B. L.; Souto, Raimundo N. P.; Santos, Cleydson B. R, Potential inhibitors of the enzyme acetylcholinesterase and juvenile hormone with insecticidal activity: study of the binding mode via docking and molecular dynamics simulations, Journal Of Biomolecular Structure & Dynamics, 38, 4687-4709, 2020, http://dx.doi.org/10.1080/07391102.2019.1688192
Castro, Leandro L.; Picanço, Leide C. S.; Silva, Jaderson V.; Souza, Lucilene R.; Sousa, Kessia P. A.; Pinheiro, Abraão A.; Chaves, Gisele A.; Teixeira, Hueldem R. C.; Silva, Guilherme M.; taft, Carlton A.; De P. Da Silva, Carlos H.t.; Da S. Hage-melim, Lorane I, Proposition of Potential GSK-3β Inhibitors for the Treatment of Alzheimer?s Disease: A Molecular Modeling Study, Current Computer-aided Drug Design, 16, 541-554, 2020, http://dx.doi.org/10.2174/1573409915666191015110734
Souza, Wanderson C.; Dias, Lucas D.; De Queiroz, Jaqueline E.; Vidal, Hérika D.a.; da Silva, Vinícius B.; Leopoldino, Andréia M.; de Paula Da Silva, Carlos H.t.; Verde, Giuliana M.v.; Aquino, Gilberto L.b, Synthesis and In silico Studies of N -acylhydrazone Derivatives as hnRNP K Ligands with Potential Anti-cancer Activity, Current Bioactive Compounds, 16, 432-441, 2020, http://dx.doi.org/10.2174/1573407215666190131121059
Souza, Lucilene R.; Picanço, Leide C.s.; Brito, Maiara F.b.; Almeida, Marcos R.s.; Marino, Bianca L.b.; Sousa, Kessia P.a.; Ferreira, Jaderson V.; Dos Santos, Cleydson B.r.; Silva, Guilherme M.; silva, Carlos H.t.p.; Taft, Carlton A.; Hage-melim, Lorane I.s, Theoretical Study of Monoamine Oxidase B Inhibitors as Drug Candidates for Treatment of Parkinson?s Disease, Central Nervous System Agents In Medicinal Chemistry, 20, 128-143, 2020, http://dx.doi.org/10.2174/1871524920666200217110211
Costa, E.b.; Silva, R.c.; Espejo-román, J.m.; Neto, M.f. De A.; Cruz, J.n.; Leite, F.h.a.; silva, C.h.t.p.; Pinheiro, J.c.; Macêdo, W.j.c.; Santos, C.b.r, Chemometric methods in antimalarial drug design from 1,2,4,5-tetraoxanes analogues, Sar And Qsar In Environmental Research, 31, 677-695, 2020, http://dx.doi.org/10.1080/1062936x.2020.1803961
Andrade, Peterson De; Fraga Dias, Amanda De; Figueiró, Fabrício; Torres, Fernando Cidade; Kawano, Daniel Fábio; Oliveira Battastini, Ana Maria; carvalho, Ivone; Tomich De Paula Da Silva, Carlos Henrique; Campos, Joaquín Maria, 1,2,3-Triazole tethered 2-mercaptobenzimidazole derivatives: design, synthesis and molecular assessment toward C6 glioma cell line, Future Medicinal Chemistry, 12, 689-708, 2020, http://dx.doi.org/10.4155/fmc-2019-0227
De Oliveira, Nayana Keyla Seabra; Almeida, Marcos Rafael Silva; Pontes, Franco Márcio Maciel; Barcelos, Mariana Pegrucci; Silva, Guilherme Martins; de Paula Da Silva, Carlos Henrique Tomich; Cruz, Rodrigo Alves Soares; Da Silva Hage-melim, Lorane Izabel, Molecular Docking, Physicochemical Properties, Pharmacokinetics and Toxicity of Flavonoids Present in Euterpe Oleracea Martius, Current Computer-aided Drug Design, 16, 1-10, 2020, http://dx.doi.org/10.2174/1573409916666200619122803
Santos, K. L. B.; Cruz, J. N.; Silva, L. B.; Ramos, R. S.; Neto, M. F. A.; lobato, C. C.; Ota, S. S. B.; Leite, F. H. A.; Borges, R. S.; silva, C. H. T. P.; Campos, J. M.; santos, C. B. R., Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches, Molecules, 25, 1245-1277, 2020, http://dx.doi.org/10.3390/molecules25051245
Santos, C. B. R.; Santos, K. L. B.; Cruz, J. N.; Leite, F. H. A.; Borges, R. S.; taft, C. A.; Campos, J. M.; silva, C. H. T. P., Molecular modeling approaches of selective adenosine receptor type 2A agonists as potential anti-inflammatory drugs, Journal Of Biomolecular Structure & Dynamics, ?, 1-13, 2020, http://dx.doi.org/10.1080/07391102.2020.1761878
Hage-melim, L. I. S.; federico, L. B.; Oliveira, N. K. S.; Francisco, V. C. C.; Correia, L. C.; Lima, H. B.; Gomes, S. Q.; Barcellos, M. P.; Francischini, I. A. G.; silva, Carlos H. T. P., Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19, Life Sciences, 256, 117963, 2020, http://dx.doi.org/10.1016/j.lfs.2020.117963
Federico, Leonardo Bruno; Silva, Guilherme Martins; De Fraga Dias, Amanda; Figueiró, Fabrício; Battastini, Ana Maria Oliveira; Dos Santos, Cleydson Breno Rodrigues; Costa, Luciano T.; Rosa, Joaquín Maria Carmpos; de Paula Da Silva, Carlos Henrique Tomich, Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening, International Journal Of Biological Macromolecules, 165, 3040-3050, 2020, http://dx.doi.org/10.1016/j.ijbiomac.2020.10.136
2019
Borges, R.; Palheta, I. C.; Ota, S. S. B.; Morais, R. B.; Barros, V. A.; Ramos, R. S.; silva, R. C.; Costa, J. S.; Silva, C. H. T. P.; Campos, J. M.; santos, C. B. R., Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism, Molecules, 24, 143, 2019, 10.3390/molecules24010143
Barcellos, Mariana P.; Santos, Cleydson B. R.; Federico, Leonardo B.; Almeida, Paulo Fernando De; da Silva, Carlos H. T. De Paula.; Taft, Carlton A., Pharmacophore and structure-based drug design, molecular dynamics and admet/tox studies to design novel potential pad4 inhibitors, Journal Of Biomolecular Structure & Dynamics, 37, 966-981, 2019, 10.1080/07391102.2018.1444511
Ozela, P. F.; Picanco, L. C. S.; Souza, L. R.; Barbosa, R. C.; Ferreira, J. V.; h. T. P. Silva, Carlos; Santos, C. B. R.; Hage-melim, L. I. S, Evaluation of Computational Method from Crystallographic Structure of Galantamine for Molecular Modeling of Drug Candidates Anti-Alzheimer?s Disease, Journal Of Computational And Theoretical Nanoscience, 16, 2673-2686, 2019, http://dx.doi.org/10.1166/jctn.2019.8221
Hage-melim, Lorane Izabel Da S.; Poiani, J. G. C.; silva, C.h.t.p.; Boylan, F, In silico study of the mechanism of action, pharmacokinetic and toxicological properties of some N-methylanthranilates and their analogs, Food And Chemical Toxicology, 131, 110556, 2019, http://dx.doi.org/10.1016/j.fct.2019.06.003
De Oliveira, Nayana Keyla Seabra; Almeida, Marcos Rafael Silva; Pontes, Franco Márcio Maciel; Barcelos, Mariana Pegrucci; de Paula Da Silva, Carlos Henrique Tomich; Rosa, Joaquín María Campos; Cruz, Rodrigo Alves Soares; Da Silva Hage-melim, Lorane Izabel, Antioxidant Effect of Flavonoids Present in Euterpe oleracea Martius and Neurodegenerative Diseases: A Literature Review, Central Nervous System Agents In Medicinal Chemistry, 19, 75-99, 2019, http://dx.doi.org/10.2174/1871524919666190502105855
Hage-melim, L. I. S.; Ferreira, J. V.; Oliveira, N. K. S.; Correia, L. C.; Almeida, M. R. S.; Poiani, J. G. C.; Taft, Carlton Anthony; silva, C. H. T. P., The Impact of Natural Compounds on the Treatment of Neurodegenerative Diseases, Current Organic Chemistry, 23, 335-360, 2019, http://dx.doi.org/10.2174/1385272823666190327100418
Costa, G. V.; Ferreira, E. F. B.; Ramos, R. S.; Silva, L. B.; Sa, E. M. F.; Silva, A. K. P.; Lobato, C. M.; Souto, R. N. P.; silva, C. H. T. P.; Federico, L. B.; Rosa, J. M. C.; santos, C. B. R., Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos, Pharmaceuticals, 12, 61-78, 2019, http://dx.doi.org/10.3390/ph12020061
Ferreira, E. F. B.; Silva, L. B.; Costa, G. V.; costa, J. S.; Fujishima, M. A. T.; Leao, R. P.; Ferreira, A. L. S.; federico, L. B.; Silva, C. H. T. P.; Rosa, J. M. C.; macedo, W. J. C.; Santos, C. B. R., Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening, Molecules, 24, 2943-2961, 2019, http://dx.doi.org/10.3390/molecules24162943
Silva, Guilherme Martins; Barcelos, Mariana Pegrucci; Poiani, João Gabriel Curtolo; Hage’melim, Lorane Izabel Da Silva; da’silva, Carlos Henrique Tomich De Paula, Allosteric Modulators of Potential Targets Related to Alzheimer’s Disease: a Review, Chemmedchem, 14, 1467-1483, 2019, http://dx.doi.org/10.1002/cmdc.201900299
Ramos, Ryan; Costa, Josivan; Silva, Rai; Da Costa, Glauber; Rodrigues, Alex; Rabelo, Érica; Souto, Raimundo; Taft, Carlton; silva, Carlos; Rosa, Joaquín; Santos, Cleydson; macêdo, Williams, Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening, Pharmaceuticals, 12, 20-42, 2019, http://dx.doi.org/10.3390/ph12010020
2018
Pereira, Alison L.e.; Dos Santos, Gabriela B.; Franco, Márcia S.f.; Federico, Leonardo B.; da Silva, Carlos H.t.p.; Santos, Cleydson B.r, Molecular modeling and statistical analysis in the design of derivatives of human dipeptidyl peptidase IV, Journal Of Biomolecular Structure & Dynamics, 36, 318-334, 2018, 10.1080/07391102.2016.1277163
Costa, J. S.; Costa, K. S. L.; Cruz, J. V.; Ramos, R. S.; Silva, L. B.; brasil, D. S. B.; Silva, C. H. T. P.; Santos, C. B. R.; Macedo, W. J. C., Virtual Screening and Statistical Analysis in the Design of New Caffeine Analogues Molecules with Potential Epithelial Anticancer Activity, Current Pharmaceutical Design, 24, 576-594, 2018, 10.2174/1381612823666170711112510
Cruz, J. V.; Araujo Neto, M. F.; Silva, L. B.; Ramos, R. S.; costa, J. S.; Brasil, D. S. B.; Lobato, C. C.; Costa, G. V.; Bittencourt, J. A. H. M.; silva, C. H. T. P.; Leite, F. H. A.; santos, C. B. R., Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening, Molecules, 23, 453, 2018, 10.3390/molecules23020453
Silva, R. C.; Poiani, J. G. C.; Ramos, R. S.; costa, J. S.; Silva, C. H. T. P.; Brasil, D. S. B.; Santos, C. B. R., Ligand- and structure-based virtual screening from 16-(N,N-diisobutylaminomethyl)-6α-hydroxyivouacapan-7β,17β-lactone compound with potential anti-prostate cancer activity, Journal Of The Serbian Chemical Society, ?, 47-47, 2018, 10.2298/JSC180129047S
Cruz, J. V.; Serafim, R. B.; Silva, G. M.; Giulliati, S.; Campos, J. M.; Neto, M. F. A.; Leite, F. H. A.; taft, Carlton A.; Silva, C. H. T. P.; Santos, C. B. R., Computational design of new protein kinase 2 inhibitors for the treatment of inflammatory diseases using QSAR, pharmacophore-structure-based virtual screening, and molecular dynamics, Journal Of Molecular Modeling, 24, 225, 2018, 10.1007/s00894-018-3756-y
Fujishima, M.; silva, N. S. R.; Ramos, R. S.; Ferreira, E.; Santos, K.; silva, C. H. T. P.; Silva, J.; santos, C. B. R., An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn, Pharmaceuticals, 11, 72-91, 2018, 10.3390/ph11030072
Costa, J. S.; Ramos, R. S.; Costa, K.; brasil, D. S. B.; Silva, C. H. T. P.; Ferreira, E.; Borges, R.; Campos, J. M.; macedo, W. J. C.; Santos, C. B. R., An In Silico Study of the Antioxidant Ability for Two Caffeine Analogs Using Molecular Docking and Quantum Chemical Methods, Molecules, 23, 2801, 2018, 10.3390/molecules23112801
Costa, Josivan; Santos, Cleydson; Costa, Karina; Ramos, Ryan; silva, Carlos Henrique; Macêdo, Williams, VALIDATION OF COMPUTATIONAL METHODS APPLIED IN MOLECULAR MODELING OF CAFFEINE WITH EPITHELIAL ANTICANCER ACTIVITY: THEORETICAL STUDY OF GEOMETRIC, THERMOCHEMICAL AND SPECTROMETRIC DATA, Quimica Nova, 41, 732-742, 2018, 10.21577/0100-4042.20170239
De Almeida, Jonathan R; Figueiro, Micheli; Almeida, Wanda Pereira; de Paula Da Silva, Carlos Henrique Tomich, Discovery of novel dual acetylcholinesterase inhibitors with antifibrillogenic activity related to Alzheimer’s disease, Future Medicinal Chemistry, 10, 1037-1053, 2018, 10.4155/fmc-2017-0201
Macedo, W. J. C.; Costa, J. S.; Federico, L. B.; Cruz, J. V.; Carvalho, S. S.; Ramos, R. S.; Wanderley, D. D.; silva, C. H. T. P.; Santos, C. B. R., A MLR and ADME/Tox Study of New Dihydroartemisinin Compounds with Antimalarial Activity, Journal Of Computational And Theoretical Nanoscience, 15, 1785-1794, 2018, http://dx.doi.org/10.1166/jctn.2018.7310
Federico, L. B.; Alcantara, L. M.; Moraes, C. B.; Freitas-junior, L. H.; Rosa, J. M. C.; silva, C. H. T. P., Discovery of Novel Leishmanicidal Drugs with Potential L-type Calcium Channel Blockage, Designed by Similarity-Based Virtual Screening Approaches, Poj Pharmaceutical Sciences, 1, 1-6, 2018
2017
Brito, M. F. B.; Ferreira, J. V.; Souza, L. R.; Gemaque, L. R.; Sousa, K. P.; Santos, C. F.; braga, F. S.; Pernomian, L.; Silva, C. H. T. P.; Santos, C. B. R.; Taft, Carlton A.; Hage-melim, L. I. S, Computational Molecular Modeling of Compounds from Amaryllidaceae Family as Potential Acetylcholinesterase Inhibitors, Current Bioactive Compounds, 13, 121-129, 2017, http://dx.doi.org/10.2174/1573407212666160607093830
Pernomian, L.; Gomes, M. S.; silva, C. H. T. P.; Rosa, J. M. C, Reverse Induced Fit-Driven MAS-Downstream Transduction: Looking for Metabotropic Agonists, Current Medicinal Chemistry, 24, 4360-4367, 2017, http://dx.doi.org/10.2174/0929867324666170912095306
Melim, Lorane Hage; 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.; silva, Carlos H. T. P.; Santos, Cleydson B. R, Cannabinoid type 1 receptor (CB1) bioligand with therapeutic potential for withdrawal syndrome in chemical dependents Cannabis sativa, Chemmedchem, 12, 1408-1416, 2017, http://dx.doi.org/10.1002/cmdc.201700129
Peres, Raphael S.; Santos, Gabriela B.; Cecilio, Nerry T.; Jabor, Valquíria A. P.; Niehues, Michael; Torres, Bruna G. S.; Buqui, Gabriela; silva, Carlos H. T. P.; Costa, Teresa Dalla; lopes, Norberto P.; Nonato, Maria C.; Ramalho, Fernando S.; Louzada-júnior, Paulo; Cunha, Thiago M.; Cunha, Fernando Q.; Emery, Flavio S.; Alves-filho, Jose C, Lapachol, a compound targeting pyrimidine metabolism, ameliorates experimental autoimmune arthritis, Arthritis Research & Therapy (online), 19, 1-12, 2017, http://dx.doi.org/10.1186/s13075-017-1236-x
Pernomian, Larissa; Gomes, Mayara; Dornelas, Josimar; tomich De Paula Da Silva, Carlos; Rosa, Jaoaquín; De Barros Cardoso, Cristina, New Horizons on Molecular Pharmacology applied to Drug Discovery: When Resonance Overcomes Radioligand Binding, Current Radiopharmaceuticals, 10, 1-1, 2017, http://dx.doi.org/10.2174/1874471010666170208152420
Diniz, E. M. L. P.; Poiani, J. G. C.; taft, Carlton A.; Silva, C. H. T. P., Structure-Based Drug Design, Molecular Dynamics and ADME/Tox to Investigate Protein Kinase Anti-Cancer Agents, Current Bioactive Compounds, 13, 213-222, 2017, http://dx.doi.org/10.2174/1573407212666160607093114
Kawano, D. F.; Taft, Carlton A.; Silva, C. H. T. P., Prospecting for New Inhibitors of Anaplastic Lymphoma Kinase, A Clinically Relevant Oncogenic Drug Target, Current Bioactive Compounds, 13, 236-243, 2017, http://dx.doi.org/10.2174/1573407212666160607092819
Federico, L. B.; Santos, C. B. R.; Lobato, C. C.; Gomes, J. S.; rosa, J. C.; Silva, C. H. T. P., Ligand- and Structure-Based Drug Design of Novel Calcium Channel Blockers, Journal Of Computational And Theoretical Nanoscience, 14, 3489-3502, 2017, http://dx.doi.org/10.1166/jctn.2017.6519
Rodrigues, Ricardo P.; silva, Carlos H. T. P. Da, Discovery of potential neurodegenerative inhibitors in Alzheimer?s disease by casein kinase 1 structure-based virtual screening, Medicinal Chemistry Research, 26, 3274-3285, 2017, http://dx.doi.org/10.1007/s00044-017-2020-9
2016
Diniz, E. M. L. P.; silva, C. H. T. P.; Gomez-perez, V.; federico, L. B.; Rosa, J. M. C, GRIND2-based 3D-QSAR and Prediction of Activity Spectra for Symmetrical Bis-Pyridinium Salts with Promastigote Antileishmanial Activity, Journal Of Biomolecular Structure And Dynamics, ?, 1-25, 2016, 10.1080/07391102.2016.1221364
Picanco, L. C.; Ozela, P.; Brito, M. F.; Pinheiro, A.; Padilha, E.; Braga, F.; silva, C. H. T. P.; Santos, C. B. R.; Campos, J. M.; Hage-melim, L. I. S, Alzheimer’s disease: A review from the pathophysiology to diagnosis, new perspectives for pharmacological treatment, Current Medicinal Chemistry, 23, 1-1, 2016, 10.2174/0929867323666161213101126
Moreira, Josimar D.; pernomian, Larissa; Gomes, Mayara S.; Moreira, Rafael P.; Do Prado, Alejandro F.; da Silva, Carlos H.t.p.; De Oliveira, Ana M., Enhanced nitric oxide generation from nitric oxide synthases as the cause of increased peroxynitrite formation during acute restraint stress: Effects on carotid responsiveness to angiotensinergic stimuli in type-1 diabetic rats, European Journal Of Pharmacology, 783, 11-22, 2016, 10.1016/j.ejphar.2016.04.050
Santos, C. F.; Silva, A. E. S. E.; Martins, A. M. L.; silva, C. H. T. P.; Santos, C. B. R.; Hage-melim, L. I. S, Molecular Modeling of Peptide Derivatives NS3 Protease Inhibitors of the Type 2 Dengue Virus, Current Physical Chemistry, 6, 28-39, 2016, http://dx.doi.org/10.2174/187794680601160324120622
Souza, L. R.; Picanco, R. M.; pinheiro, A. A.; Silva, K. R.; silva, C. H. T. P.; Santos, C. B. R.; Hage-melim, L. I. S, Development of Monoamine Oxidase B Inhibitors with Antiparkinson Activity, Current Physical Chemistry, 6, 40-52, 2016, http://dx.doi.org/10.2174/187794680601160324121146
Santos, C. B. R.; Silva, C. H. T. P.; Serafim, R. B.; Rodriguez, D.; Padilha, E.; Freitas, C, New PPARα/γ/δ Optimal Activator Rationally Designed by Computational Methods, Journal Of The Brazilian Chemical Society (impresso), ?, 1636-1647, 2016, http://dx.doi.org/10.5935/0103-5053.20160043
Da Silva, Carlos Henrique Tomich De Paula& Taft, Carlton Anthony, 3D descriptors calculation and conformational search to investigate potential bioactive conformations, with application in 3D-QSAR and virtual screening in drug design, Journal Of Biomolecular Structure & Dynamics, 35, 1-9, 2016, http://dx.doi.org/10.1080/07391102.2016.1237382
Kawano, D. F.; Silva, C. H. T. P.; Taft, C. A., Design of a New Synthetically Accessible Antibacterial Sulfona-mide Through Quantitative Structure-Activity Relationship (QSAR) Studies, Current Physical Chemistry, 6, 105-114, 2016, http://dx.doi.org/10.2174/1877946806666160425161417
Federico, L. B.; Almeida, J. R.; Taft, C. A.; Silva, C. H. T. P., Ligand and Structure-Based Drug Design as Strategies for the Screening of New BACE1 Inhibitor Candidates, Current Physical Chemistry, 5, 253-262, 2016, http://dx.doi.org/10.2174/187794680503160223164951
Figueredo, A. S.; Oliveira, M. G.; Safadi, G. M. V. V.; silva, C. H. T. P.; Silva, V. B.; Aquino, G. L. B., The Natural Alkaloid Piperine and its Acid and Ester Synthetic Derivatives are Acetylcholinesterase Inhibitors, Current Physical Chemistry, 5, 294-300, 2016, http://dx.doi.org/10.2174/187794680504160308115710
Silva, I. X.; Oliveira, M. G.; Conceição, E. C.; taft, Carlton A.; Silva, C. H. T. P.; Silva, V. B., Binding Model of Capsaicin is Able to Reach The Peripheral Anionic Site of Acetylcholinesterase, Current Bioactive Compounds, 12, 1-5, 2016, http://dx.doi.org/10.2174/1573407212666160607094049
2015
Pernomian, L.; Silva, C. H. T. P., Current basis for discovery and development of aryl hydrocarbon receptor antagonists for experimental and therapeutic use in atherosclerosis, European Journal Of Pharmacology, 764, 118-123, 2015, 10.1016/j.ejphar.2015.06.058
Pernomian, Larissa; Do Prado, Alejandro F.; Gomes, Mayara S.; Pernomian, Laena; da Silva, Carlos H.t.p.; Gerlach, Raquel F.; De Oliveira, Ana M., MAS receptors mediate vasoprotective and atheroprotective effects of candesartan upon the recovery of vascular angiotensin-converting enzyme 2-angiotensin-(1-7)-MAS axis functionality, European Journal Of Pharmacology, 764, 173-188, 2015, 10.1016/j.ejphar.2015.07.007
Moreira, Josimar D.; pernomian, Larissa; Gomes, Mayara S.; Pernomian, Laena; Moreira, Rafael P.; Do Prado, Alejandro F.; da Silva, Carlos H.t.p.; De Oliveira, Ana M., Acute restraint stress increases carotid reactivity in type-I diabetic rats by enhancing Nox4/NADPH oxidase functionality, European Journal Of Pharmacology, 765, 503-516, 2015, 10.1016/j.ejphar.2015.09.020
Santos, C. B. R.; Lobato, C. C.; Braga, F. S.; Costa, J. S.; Favacho, H. A. S.; Carvalho, J. C. T.; macedo, W. J. C.; Brasil, D. S. B.; Silva, C. H. T. P.; Hage-melim, L. I. S, Rational Design of Antimalarial Drugs Using Molecular Modeling and Statistical Analysis, Current Pharmaceutical Design (print), 21, 4112-4127, 2015, http://dx.doi.org/10.2174/1381612821666150528121423
Pinhiero, A. A.; Silva, K. R.; silva, A. E. S.; Braga, F. S.; Silva, C. H. T. P.; Santos, C. B. R.; Hage-melim, Lorane Izabel Da S, In silico Identification of Novel Potential BACE-1 Inhibitors for Alzheimer?s Disease Treatment: Molecular Docking, Pharmacophore Modeling and Activity and Synthetic Accessibility Predictions, British Journal Of Pharmaceutical Research, 7, 217-229, 2015, http://dx.doi.org/10.9734/bjpr/2015/18013
Picanço, Leide; Castro, Leandro; Pinheiro, Abraão; Silva, Karina; Souza, Lucilene; Braga, Francinaldo; silva, Carlos; Santos, Cleydson; Hage-melim, Lorane, Study of Molecular Docking, Physicochemical and Pharmacokinetic Properties of GSK-3β Inhibitors, British Journal Of Pharmaceutical Research, 7, 152-175, 2015, http://dx.doi.org/10.9734/bjpr/2015/18054
Gonçalves, Luana; Viera, Josinete; Silva, Nayara; Santos, César; Braga, Francinaldo; Costa, Josivan; macêdo, Williams; Silva, Carlos; Hage-melim, Lorane; Santos, Cleydson, A QSAR Study of New Caffeine Derivatives with Epithelial Anticancer Activity, British Journal Of Pharmaceutical Research, 7, 122-139, 2015, http://dx.doi.org/10.9734/bjpr/2015/17914
Cunha, E. L.; santos, C. F.; Braga, F. S.; Costa, J. S.; Silva, R. C.; Favacho, H. A. S.; hage-melim, L. I. S.; Carvalho, J. C. T.; silva, C. H. T. P.; Santos, C. B. R., Computational Investigation of Antifungal Compounds Using Molecular Modeling and Prediction of ADME/Tox Properties, Journal Of Computational And Theoretical Nanoscience, 12, 3682-3691, 2015, http://dx.doi.org/10.1166/jctn.2015.4260
Silva, N. S. R.; Santos, C. F.; Goncalves, L. K. S.; Braga, F. S.; Silva, R. C.; Costa, J. S.; Silva, C. H. T. P.; Brasil, D. S. B.; Hage-melim, Lorane Izabel Da S.; santos, C. B. R., Molecular Modeling of the Major Compounds of Sesquiterpenes Class in Copaiba Oil-resin, British Journal Of Pharmaceutical Research, 7, 247-263, 2015, http://dx.doi.org/10.9734/bjpr/2015/17591
Pernomian, L.; Pernomian, L.; Gomes, M. S.; silva, C. H. T. P., Pharmacological significance of the interplay between angiotensin receptors: MAS receptors as putative final mediators of the effects elicited by angiotensin AT1 receptors antagonists, European Journal Of Pharmacology, 769, 143-146, 2015, http://dx.doi.org/10.1016/j.ejphar.2015.11.009
2014
Mantoani, S. P.; Silva, V. B.; Silva, C. H. T. P., Pharmacophore-based Drug Design of Novel Potential Tau Ligands for Alzheimer’s Disease Treatment, Current Physical Chemistry, 4, 35-44, 2014, http://dx.doi.org/10.2174/18779468113036660020
Silva, V. B.; Leopoldino, A. M.; Silva, C. H. T. P., In Silico Bioisosteric Replacements of hnRNP K Ligands as Anticancer Lead Compounds, Current Physical Chemistry, 4, 30-34, 2014, http://dx.doi.org/10.2174/18779468113036660018
Ferreira, F. P.; Couto, W. F.; Fontana, V.; silva, C. H. T. P., Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces, Current Physical Chemistry, 4, 94-105, 2014, http://dx.doi.org/10.2174/18779468113036660017
Hage-melim, L. I. S.; Santos, C. B. R.; Poiani, J. G. C.; Vaidergom, M. M.; manzolli, E. S.; Silva, C.h.t.p., Computational Medicinal Chemistry to Design Novel Phosphoinositide 3- Kinase (PI3K) Alpha Inhibitors in View of Cancer, Current Bioactive Compounds, 10, 147-157, 2014, http://dx.doi.org/10.2174/157340721003141013142410
Oliveira, M. G.; Figueredo, A. S.; Aquino, G. L. B.; Leopoldino, A. M.; Silva, V. B.; Taft, C. A.; Silva, C.h.t.p., In Silico Design of Phenylbenzamide Derivatives Coupled to Pyrimidines as Novel hnRNP K Ligands Against Cancer, Current Bioactive Compounds, 10, 158-162, 2014, http://dx.doi.org/10.2174/157340721003141013142614
Araújo, J. G.; rodrigues, R. P.; Federico, L. B.; Silva, C.h.t.p., Structure-Based Drug Design of Novel MARK-3 Inhibitors in Cancer, Current Bioactive Compounds, 10, 131-138, 2014, http://dx.doi.org/10.2174/157340721002141001103308
Almeida, Jonathan; Volpini, Josiana; Poiani, Joao; silva, Carlos, Ligand-Based Drug Design of Novel MARK-3 Inhibitors in Cancer, Current Bioactive Compounds, 10, 112-123, 2014, http://dx.doi.org/10.2174/157340721002141001102743
2013
Pinsetta, F. R.; Taft, C. A.; Silva, C. H. T. P., Structure- and ligand-based drug design of novel p38-alpha MAPK inhibitors in the fight against the Alzheimer?s disease, Journal Of Biomolecular Structure & Dynamics, ?, 1-17, 2013, 10.1080/07391102.2013.803441
Almeida, J. R.; Silva, C. H. T. P., Density Functional Theory, Molecular Interaction Fields, Pharmacophore, Virtual Screening and Physical Chemistry of the Interactions of Novel Acetylcholinesterase Inhibitors in Alzheimer´s Disease, Current Physical Chemistry, 3, 419-430, 2013, http://dx.doi.org/10.2174/18779468113036660016
Filho, L. R. G.; Miyake, G. Y.; silva, C. H. T. P., Density Functional Theory, Docking, Bioisosteric Replacement, Pharmacophore Perception, Physical Chemical Analyses of the Interactions of Novel PIM-1 Inhibitors with Suitable Pharmacokinetic Properties for Cancer Treatment, Current Physical Chemistry, 3, 408-412, 2013, http://dx.doi.org/10.2174/18779468113036660019
Taft, Carlton A.; Silva, C.h.t.p., Comments on the paper `Levinthal¿s question, revisited, and answered¿, Journal Of Biomolecular Structure & Dynamics, ?, 1-2, 2013, http://dx.doi.org/10.1080/07391102.2012.748540
Mantoani, S. P.; Silva, C.h.t.p.; Silva, V. B., In Silico Binding Mode Proposed for Flavonoid Ligands of Tau Protein with Interest in Alzheimer’s Disease, Current Bioactive Compounds, 9, 21-26, 2013, http://dx.doi.org/10.2174/1573407211309010004
Rodrigues, R. P.; Silva, C.h.t.p., Pharmacophore, Similarity and ADMET Screening of Casein Kinase 1 inhibitors in Alzheimer’s Disease, Current Bioactive Compounds, 9, 27-36, 2013, http://dx.doi.org/10.2174/1573407211309010005
Pinsetta, F. R.; Taft, C. A.; Silva, C.h.t.p., Rational Design of Novel Potential p38α MAPK Inhibitors with Drug-like Properties Using Pharmacophore and Similarity-based Virtual Screening Procedures, Current Bioactive Compounds, 9, 3-13, 2013, http://dx.doi.org/10.2174/1573407211309010002
Semighini, E. P.; Taft, C. A.; Silva, C.h.t.p., Structure and Ligand Based Rational Drug Design for Bace-1 Inhibitors, Current Bioactive Compounds, 9, 14-20, 2013, http://dx.doi.org/10.2174/1573407211309010003
Hage-melim, L. I. S.; Sampaio, S. V.; Taft, Carlton A.; Silva, C. H. T. P., Phospholipase A2 Inhibitors Isolated From Medicinal Plants: Alternative Treatment Against Snakebites, Mini-reviews In Medical Chemistry, 13, 1348-1356, 2013, http://dx.doi.org/10.2174/1389557511313090009
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