Chalcone Derivatives: Promising Starting Points for Drug Design
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E. Muratov M. Pereira J. Peixoto L. Rosseto P. Cravo B. Neves PUBLICAÇÕES
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Arthur C. Silva Pablo Ivan Pereira Ramos Nathália Grazzia Danilo C. Miguel Eugene Muratov Nicholas Furnham 2018
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A. Kummerle R. V. C. Guido A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment
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R. Braga E. Muratov 2017
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V. M. Alves E. N. Muratov J. Strickland N. Kleinstreuer A. Tropsha 2016
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J. T. Mesquita E. G. Pinto T. A. Costa-Silva S. E. T. Borborema A. J. Galisteo Junior B. J. Neves Z. Al Shuhaib E. L. Bennett G. P. Black P. M. Harper D. M. Evans H. S. Fituri J. P. Leyland C. Martin T. D. Roberts A. J. Thornhill S. A. Vale A. Howard-Jones D. A. Thomas H. L. Williams L. E. Overman R. G. S. Berlinck P. J. Murphy A. G. Tempone Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening
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R. A. de Azevedo A. C. Silva R. C. Braga S. D. Jorge J. A. M. Barbuto A. K. Ferreira Illustrating and homology modeling the proteins of the Zika virus
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J. Liebler B. J. Neves W. G. Lewis M. Coffee R. Bienstock C. Southan Modern Approaches to Accelerate Discovery of New Antischistosomal Drugs
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A. L. Perryman QSAR Models of Human Data Can Enrich or Replace LLNA Testing for Human Skin Sensitization
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S. J. Capuzzi E. N. Muratov R. C. Braga T. E. Thornton D. Fourches J. Strickland N. Kleinstreuer A. Tropsha QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma Mansoni
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R. F. Dantas R. C. Braga B. J. Neves M. R. Senger W. C. G. Valente J. M. Rezende-Neto W. T. Chaves E. N. Muratov R. A. Paveley N. Furnham L. Kamentsky A. E. Carpenter F. P. Silva-Junior The Antidepressant Drug Paroxetine as a New Lead Candidate in Schistosome Drug Discovery
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R. F. Dantas M. R. Senger W. C. G. Valente J. de M. Rezende-Neto W. T. Chaves L. Kamentsky A. Carpenter F. P. Silva-Junior 2015
Blocking the L-type Ca2+ channel (Cav 1.2) is the key mechanism for the vascular relaxing effect of Pterodon spp. and its isolated diterpene methyl-6α-acetoxy-7β-hydroxyvouacapan-17β-oate
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R. C. Braga J. C. B. Bezerra P. Cravo Natural products as leads in schistosome drug discovery
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P. V. L. Cravo Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
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E. Muratov D. Fourches J. Strickland N. Kleinstreuer A. Tropsha Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization
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E. Muratov D. Fourches J. Strickland N. Kleinstreuer A. Tropsha 2014
3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models
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R. C. Braga Advances in methods for predicting phase I metabolism of polyphenols
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R. C. Braga Editorial (Thematic Issue: Drug metabolism, toxicology experimental determination and theoretical prediction): challenges and perspectives from a medicinal chemistry point of view
In silico prediction of drug metabolism by P450
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R. C. Braga New Tuberculostatic Agents Targeting Nucleic Acid Biosynthesis: Drug Design using QSAR Approaches
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R.C. Braga N.D. Segretti E.I. Ferreir G.H.G. Trossini Virtual Screening Strategies in Medicinal Chemistry: The state of the art and current challenges
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V. M. Alves A. C. Silva M. N. Nascimento F. C. Silva L. M. Liao 2013
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R. C. Lino M. N. Gomes M. V. M. Nascimento I. F. Florentino P. M. Galdino K. R. Rezende L. O. Magalhães R. Menegatti Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol
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F. I. Martins I. F. Florentino M. V. M. Nascimento P. M. Galdino K. R. Rezende R. Menegatti E. A. Costa Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound
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T. E. T. Pompeu D. a Rodrigues F. Noël R. Menegatti J. R. Sabino E. S. Gil T. Dalla Costa A. H. Betti C. B. Antonio S. M. K. Rates C. a M. Fraga E. J. Barreiro V. de Oliveira Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches
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R. V. Bueno R. C. Braga In silico metabolism studies of dietary flavonoids by CYP1A2 and CYP2C9
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R. C. R. R. C. Braga B. A. S. B. Cintra V. de Oliveira Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies
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N. R. Toledo B. J. Neves R. C. Braga Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase
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F. Pazini V. M. Alves S. S. Moura L. M Lião M. T. Q. Magalhães M. C. Valadares R. Menegatti M. L. Rocha 2012
Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone
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V. M. Alves C. a M. Fraga E. J. Barreiro V. de Oliveira Cyclic Voltammetry and Computational Chemistry Studies on the Evaluation of the Redox Behavior of Parabens and other Analogues
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N. L. Barbosa R. C. Braga S. H. P. Serrano QSAR and QM/MM approaches applied to drug metabolism prediction
2011
Estudos de QSAR-3D para uma série de análogos à timidina com atividade tuberculostática
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R. C. Braga N. R. Toledo Twenty-six years of HIV science: an overview of anti-HIV drugs metabolism
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V. Oliveira 2010
3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents
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E. I. Ferreira A. J. Hopfinger Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581
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R. Menegatti J. R. Sabino G. Neves S. M. K. Rates F. Noël C. a M. Fraga E. J. Barreiro V. de Oliveira Identification of desvenlafaxine, the major active metabolite of venlafaxine, in extended-release capsules
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R. C. Braga V. de Oliveira Modelagem molecular no ensino de química farmacêutica
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E. I. Ferreira Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294
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R. C. Braga A. C. B. Tôrres R. O. Alves L. M. Lião C. a M. Fraga E. J. Barreiro V. de Oliveira 2009
Rational design and 3D-pharmacophore mapping of 5’-thiourea-substituted alpha-thymidine analogues as mycobacterial TMPK inhibitors
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E. I. Ferreira A. J. Hopfinger 2008
Abordagem racional no planejamento de novos tuberculostáticos: inibidores da InhA, enoil-ACP redutase do M. tuberculosis
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M. H. Zaim E. I. Ferreira Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents
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M. S. Castilho K. F. M. Pasqualoto E. I. Ferreira A. D. Andricopulo Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents
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K. Mesquita Pasqualoto E. Ferreira A. Andricopulo Nenhuma publicação corresponde aos filtros atuais.
