Wely Brasil Floriano

Idiomas

Áreas de atuação

Participação em bancas

Orientou

Produções bibliográficas

• ABRAHAM, CHRISTOPHER BRIAN ; DADGAR, SEPIDEH ; FLORIANO, WELY B. ; CAMPBELL, MICHAEL ; CURIEL, LAURA . Exposure to Long Magnetic Resonance Imaging Thermometry Does Not Cause Significant DNA Double-Strand Breaks on CF-1 Mice. JOURNAL OF MODERN PHYSICS , v. 13, p. 839-850, 2022.

• ALLINGHAM, JESSICA ; FLORIANO, WELY B. . Genetic diversity in the IZUMO1-JUNO protein-receptor pair involved in human reproduction. PLoS One , v. 16, p. e0260692, 2021.

• JACKSON, ROBERT ; ROSA, BRUCE A. ; LAMEIRAS, SONIA ; CUNINGHAME, SEAN ; BERNARD, JOSEE ; FLORIANO, WELY B. ; LAMBERT, PAUL F. ; NICOLAS, ALAIN ; ZEHBE, INGEBORG . Functional variants of human papillomavirus type 16 demonstrate host genome integration and transcriptional alterations corresponding to their unique cancer epidemiology. BMC GENOMICS , v. 17, p. 851, 2016.

• DRAGNEVA, NADIYA ; RUBEL, OLEG ; FLORIANO, WELY B. . Molecular Dynamics of Fibrinogen Adsorption onto Graphene, but Not onto Poly(ethylene glycol) Surface, Increases Exposure of Recognition Sites That Trigger Immune Response. Journal of Chemical Information and Modeling , v. 56, p. 706-720, 2016.

• KAMSTRA, RHIANNON L. ; FREYWALD, ANDREW ; FLORIANO, WELY B. . N-(2,4)-dinitrophenyl-L-arginine Interacts with EphB4 and Functions as an EphB4 Kinase Modulator. Chemical Biology & Drug Design , v. 86, p. 476-486, 2015.

• DADGAR, SAEDEH ; FLORIANO, WELY B. . Systematic discovery of molecular probes targeting multiple non-orthosteric and spatially distinct sites in the botulinum neurotoxin subtype A (BoNT/A). MOLECULAR AND CELLULAR PROBES , v. 29, p. 135-143, 2015.

• CHEN, DEREK E. ; WILLICK, DARRYL L. ; RUCKEL, JOSEPH B. ; FLORIANO, WELY B. . Principal Component Analysis of Binding Energies for Single-Point Mutants of hT2R16 Bound to an Agonist Correlate with Experimental Mutant Cell Response. JOURNAL OF COMPUTATIONAL BIOLOGY , v. 22, p. 37-53, 2015.

• KAMSTRA, RHIANNON L. ; DADGAR, SAEDEH ; WIGG, JOHN ; CHOWDHURY, MORSHED A. ; PHENIX, CHRISTOPHER P. ; FLORIANO, WELY B. . Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN , v. 28, p. 1129-1142, 2014.

• KAMSTRA, RHIANNON L. ; FLORIANO, WELY B. . Identifying potential selective fluorescent probes for cancer-associated protein carbonic anhydrase IX using a computational approach. JOURNAL OF MOLECULAR GRAPHICS & MODELLING , v. 54, p. 184-193, 2014.

• STAUFFER, D. ; DRAGNEVA, N. ; FLORIANO, W. B. ; MAWHINNEY, R. C. ; FANCHINI, G. ; FRENCH, S. ; RUBEL, O. . An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water. JOURNAL OF CHEMICAL PHYSICS , v. 141, p. 044705, 2014.

• SHEIKHOLESLAMI, SOMAYYEH ; PANDEY, R. B. ; DRAGNEVA, NADIYA ; FLORIANO, WELY ; RUBEL, OLEG ; BARR, STEPHEN A. ; KUANG, ZHIFENG ; BERRY, RAJIV ; NAIK, RAJESH ; FARMER, BARRY . Binding of solvated peptide (EPLQLKM) with a graphene sheet via simulated coarse-grained approach. JOURNAL OF CHEMICAL PHYSICS , v. 140, p. 204901, 2014.

• DRAGNEVA, N. ; FLORIANO, W. B. ; STAUFFER, D. ; MAWHINNEY, R. C. ; FANCHINI, G. ; RUBEL, O. . Favorable adsorption of capped amino acids on graphene substrate driven by desolvation effect. JOURNAL OF CHEMICAL PHYSICS , v. 139, p. 174711, 2013.

• DADGAR, SAEDEH ; RAMJAN, ZACK ; FLORIANO, WELY B. . Paclitaxel Is an Inhibitor and Its Boron Dipyrromethene Derivative Is a Fluorescent Recognition Agent for Botulinum Neurotoxin Subtype A. JOURNAL OF MEDICINAL CHEMISTRY , v. 56, p. 2791-2803, 2013.

• BACHMANOV, ALEXANDER A ; BOSAK, NATALIA P ; FLORIANO, WELY B ; INOUE, MASASHI ; LI, XIA ; LIN, CAILU ; MUROVETS, VLADIMIR O ; REED, DANIELLE R ; ZOLOTAREV, VASILY A ; BEAUCHAMP, GARY K . Genetics of sweet taste preferences. FLAVOUR AND FRAGRANCE JOURNAL , v. 26, p. 286-294, 2011.

• LI, X. ; BACHMANOV, A. A. ; MAEHASHI, K. ; LI, W. ; LIM, R. ; BRAND, J. G. ; BEAUCHAMP, G. K. ; REED, D. R. ; THAI, C. ; FLORIANO, W. B. . Sweet Taste Receptor Gene Variation and Aspartame Taste in Primates and Other Species. CHEMICAL SENSES , v. 36, p. 453-475, 2011.

• BALESH, D. ; RAMJAN, Z. ; FLORIANO, W.B. . Unfolded annealing molecular dynamics conformers for wild-type and disease-associated variants of alpha-synuclein show no propensity for beta-sheetformation. JOURNAL OF BIOPHYSICAL CHEMISTRY (PRINT) , v. 02, p. 124-134, 2011.

• FLORIANO, WELY B. . A portable bioinformatics course for upper-division undergraduate curriculum in sciences. BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION , v. 36, p. 325-335, 2008.

• FLORIANO, WELY B. ; DOMONT, GILBERTO B. ; NASCIMENTO, MARCO A. C. . A Molecular Dynamics Study of the Correlations between Solvent-Accessible Surface, Molecular Volume, and Folding State. JOURNAL OF PHYSICAL CHEMISTRY B , v. 111, p. 1893-1899, 2007.

• VAIDEHI, NAGARAJAN ; SCHLYER, SABINE ; TRABANINO, RENE J. ; FLORIANO, WELY B. ; ABROL, RAVINDER ; SHARMA, SHANTANU ; KOCHANNY, MONICA ; KOOVAKAT, SUNIL ; DUNNING, LAURA ; LIANG, MEINA ; FOX, JAMES M. ; DE MENDONÇA, FILIPA LOPES ; PEASE, JAMES E. ; GODDARD, WILLIAM A. ; HORUK, RICHARD . Predictions of CCR1 Chemokine Receptor Structure and BX 471 Antagonist Binding Followed by Experimental Validation. JOURNAL OF BIOLOGICAL CHEMISTRY , v. 281, p. 27613-27620, 2006.

• FLORIANO, WELY B. ; HALL, SPENCER ; VAIDEHI, NAGARAJAN ; KIM, UNKYUNG ; DRAYNA, DENNIS ; GODDARD, WILLIAM A. . Modeling the human PTC bitter-taste receptor interactions with bitter tastants. JOURNAL OF MOLECULAR MODELING , v. 12, p. 931-941, 2006.

• HUMMEL, PATRICK ; VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; HALL, SPENCER E. ; GODDARD, WILLIAM A. . Test of the Binding Threshold Hypothesis for olfactory receptors: Explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93. PROTEIN SCIENCE , v. 14, p. 703-710, 2005.

• CHO, ART E. ; WENDEL, JOHN A. ; VAIDEHI, NAGARAJAN ; KEKENES-HUSKEY, PETER M. ; FLORIANO, WELY B. ; MAITI, PRABAL K. ; GODDARD, WILLIAM A. . The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. JOURNAL OF COMPUTATIONAL CHEMISTRY , v. 26, p. 48-71, 2005.

• FLORIANO, W. B. . Making Sense of Olfaction through Predictions of the 3-D Structure and Function of Olfactory Receptors. Chemical Senses , v. 29, p. 269-290, 2004.

• TRABANINO, RENE J. ; HALL, SPENCER E. ; VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; KAM, VICTOR W.T. ; GODDARD, WILLIAM A. . First Principles Predictions of the Structure and Function of G-Protein-Coupled Receptors: Validation for Bovine Rhodopsin. BIOPHYSICAL JOURNAL , v. 86, p. 1904-1921, 2004.

• KALANI, M. YASHAR S. ; VAIDEHI, NAGARAJAN ; HALL, SPENCER E. ; TRABANINO, RENE J. ; FREDDOLINO, PETER L. ; KALANI, MAZIYAR A. ; FLORIANO, WELY B. ; KAM, VICTOR WAI TAK ; GODDARD, WILLIAM A. . The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , v. 101, p. 3815-3820, 2004.

• FLORIANO, WELY BRASIL ; NASCIMENTO, MARCO ANTONIO CHAER . Dielectric constant and density of water as a function of pressure at constant temperature. BRAZILIAN JOURNAL OF PHYSICS , v. 34, p. 38-41, 2004.

• FLORIANO, WELY B. ; VAIDEHI, NAGARAJAN ; ZAMANAKOS, GEORGIOS ; GODDARD, WILLIAM A. . HierVLS Hierarchical Docking Protocol for Virtual Ligand Screening of Large-Molecule Databases. JOURNAL OF MEDICINAL CHEMISTRY , v. 47, p. 56-71, 2004.

• FREDDOLINO, PETER L. ; KALANI, M. YASHAR S. ; VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; HALL, SPENCER E. ; TRABANINO, RENE J. ; KAM, VICTOR WAI TAK ; GODDARD, WILLIAM A. . Predicted 3D structure for the human 2 adrenergic receptor and its binding site for agonists and antagonists. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , v. 101, p. 2736-2741, 2004.

• KEKENES-HUSKEY, PETER M. ; VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; GODDARD, WILLIAM A. . Fidelity of Phenylalanyl-tRNA Synthetase in Binding the Natural Amino Acids. JOURNAL OF PHYSICAL CHEMISTRY B , v. 107, p. 11549-11557, 2003.

• DATTA, DEEPSHIKHA ; VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; KIM, KWANG S. ; PRASADARAO, NEMANI V. ; GODDARD, WILLIAM A. . Interaction of e. coli outer-membrane protein A with sugars on the receptors of the brain microvascular endothelial cells. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS , v. 50, p. 213-221, 2003.

• VAIDEHI, NAGARAJAN ; FLORIANO, WELY B. ; TRABANINO, RENE ; HALL, SPENCER E. ; FREDDOLINO, PETER ; CHOI, EUN JUNG ; ZAMANAKOS, GEORGIOS ; GODDARD, WILLIAM A. . Prediction of structure and function of G protein-coupled receptors. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , v. 99, p. 12622-12627, 2002.

• GODDARD, WILLIAM A ; CAGIN, TAHIR ; BLANCO, MARIO ; VAIDEHI, NAGARAJAN ; DASGUPTA, SIDDHARTH ; FLORIANO, WELY ; BELMARES, MICHAEL ; KUA, JEREMY ; ZAMANAKOS, GEORGIOS ; KASHIHARA, SEICHI ; IOTOV, MIHAIL ; GAO, GUANGHUA . Strategies for multiscale modeling and simulation of organic materials: polymers and biopolymers. Computational and Theoretical Polymer Science , v. 11, p. 329-343, 2001.

• HENRIQUES, ELSA S. ; FLORIANO, WELLY B. ; REUTER, NATHALIE ; MELO, ANDRÉ ; BROWN, DAVID ; GOMES, JOSÉ A.N.F. ; MAIGRET, BERNARD ; NASCIMENTO, MARCO A.C. ; RAMOS, MARIA JOÃO . The search for a new model structure of beta-factor XIIa. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN , v. 15, p. 309-322, 2001.

• FLORIANO, WELY B. ; VAIDEHI, NAGARAJAN ; GODDARD, WILLIAM A. ; SINGER, MICHAEL S. ; SHEPHERD, GORDON M. . Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA , v. 97, p. 10712-10716, 2000.

• RAMOS, MARIA JO'O ; MELO, ANDR' ; HENRIQUES, ELSA S. ; GOMES, JOS' A. N. F. ; REUTER, NATHALIE ; MAIGRET, BERNARD ; FLORIANO, WELY B. ; NASCIMENTO, MARCO A. C. . Modeling enzyme-inhibitor interactions in serine proteases. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY , v. 74, p. 299-314, 1999.

• MELO, A. ; RAMOS, M.J. ; B. FLORIANO, W. ; GOMES, J.A.N.F ; LEÃO, J.F.R. ; MAGALHÃES, A.L. ; MAIGRET, B. ; C. NASCIMENTO, M. ; REUTER, N. . Theoretical study of arginine-carboxylate interactions. Journal of Molecular Structure. Theochem (Print) , v. 463, p. 81-90, 1999.

• FLORIANO, WELY B. ; NASCIMENTO, MARCO A. C. ; DOMONT, GILBERTO B. ; GODDARD, WILLIAM A. . Effects of pressure on the structure of metmyoglobin: Molecular dynamics predictions for pressure unfolding through a molten globule intermediate. PROTEIN SCIENCE , v. 7, p. 2301-2313, 1998.

• PIRES, JOSÉMARIA ; FLORIANO, WELY BRASIL ; GAUDIO, ANDERSON COSER . Extension of the frontier reactivity indices to groups of atoms and application to quantitative structure-activity relationship studies. Journal of Molecular Structure. Theochem (Print) , v. 389, p. 159-167, 1997.

• FLORIANO, WELY BRASIL ; BLASZKOWSKI, SOLANGE REGINA ; NASCIMENTO, MARCO ANTONIO CHAER . A generalized multistructural description of the ground state of ozone and water molecules. Journal of Molecular Structure. Theochem (Print) , v. 335, p. 51-57, 1995.

• SITTER, T. ; WILLICK, DARRYL L. ; FLORIANO, W.B. . Computational Drug Screening in the Cloud Using HierVLS/PSVLS. In: WorldComp 2013, 2013, Las Vegas. IEEE Engineering in Medicine and Biology, 2013. p. 84.

• RAMJAN, ZACHARY H. ; RAHEJA, AMAR ; FLORIANO, WELY B. . A cluster-aware graphical user interface for a virtual ligand screening tool. In: 2008 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 2008, Vancouver. 2008 30th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 2008. p. 4102.

• ALLINGHAM, JESSICA ; CAMPBELL, M. ; FLORIANO, W. B. . Brightening Up Brain Injuries: Design, Synthesis and Characterization of a PET Diagnostic Agent for Neuronal Trauma. SN Computer Science , 2022.

Projetos de pesquisa

• 2021 - 2022

  Biochemical validation of potential PET tracers against a biomarker of neuronal trauma, Descrição: Esse projeto tem como objetivo a validacao bioquimica de sondas moleculares as quais foram modeladas para a visualizacao de lesoes cerebrais atraves de tomografia por emissao de positrons.. , Situação: Concluído; Natureza: Pesquisa. , Alunos envolvidos: Doutorado: (1) . , Integrantes: Wely Brasil Floriano - Coordenador / CAMPBELL, MICHAEL - Integrante., Financiador(es): Lakehead University - Auxílio financeiro., Número de produções C, T & A: 2

• 2018 - Atual

  Integrating systems biology, population-based, and traditional computational biology approaches to describe the modulation of mutation effects by specific combinations of gene variants forming an interaction network., Descrição: Desenvolvimento the modelos e metodos computacionais para descrever a propagacao dos efeitos de mutacoes atraves de reded de interacoes entre proteinas. Esse programa de pesquisa utiliza uma combinacao de conhecimento e ferramentas de genomica, bioquimica, biologia de sistemas e informatica.. , Situação: Em andamento; Natureza: Pesquisa. , Alunos envolvidos: Graduação: (4) / Doutorado: (1) . , Integrantes: Wely Brasil Floriano - Coordenador., Financiador(es): Natural Sciences and Engineering Research Council - Outra., Número de produções C, T & A: 6

• 2013 - 2015

  Protease activatable probes for molecular imaging metastatic potential, Descrição: Positron Emission Tomography (PET) is a medical imaging technique that relies on the injection of a minute amount of a radioactive agent which accumulates in cancerous tissues. This powerful technique enables oncologists to noninvasively evaluate tumour biochemistry which is very important in staging, prognosis, predicting response to targeted therapies and evaluating therapeutic response.In this project, we seek to develop a PET molecular imaging probe to detect cancer biomarkers beonging to the protease family of proteins. It is anticipated that such probes can be used to study the biochemical role that these proteins plays in metastasis thereby identifying crucial targets for novel therapeutics and diagnostics. We will employ a combination of computer-assisted and rational design to discover probes specific to key proteases. In addition, we propose to use an innovative strategy to design ?activatable probes? which are chemically retained in the tumour environment only after they are processed by the target protease. The prolonged retention of these agents once activated should increase the sensitivity of the technique. For this project, we will synthesize and biologically evaluate lead compounds to identify ideal candidates for future PET imaging studies on living animal models of disease.. , Situação: Concluído; Natureza: Pesquisa. , Alunos envolvidos: Graduação: (2) / Doutorado: (1) . , Integrantes: Wely Brasil Floriano - Coordenador / CHOWDHURY, MORSHED A. - Integrante / PHENIX, CHRISTOPHER P. - Integrante., Financiador(es): Canadian Cancer Society Research Institute - Auxílio financeiro., Número de produções C, T & A: 5

• 2013 - 2015

  Synthesis and experimental characterization of novel near-infrared fluorescent compounds targeting cancer biomarker carbonic anhydrase IX, Descrição: O objetivo principal desse projeto e' a sintese e caracterizacao bioquimica de sondas moleculares fluorecentes desenvolvidas para a deteccao da proteina carbonic anhydrase IX. Essa proteina e' um marcador biologico de hipoxia de tumores malignos.. , Situação: Concluído; Natureza: Pesquisa. , Integrantes: Wely Brasil Floriano - Coordenador., Financiador(es): Lakehead University - Auxílio financeiro., Número de produções C, T & A: 1

• 2012 - 2013

  Proof-of-concept for a computer-assisted platform that identifies near-infrared molecular imaging probes, Descrição: The objective of this project is to identify near-infrared (NIR) imaging probe candidates that bind the following target proteins: (1) the human papillomavirus E6 oncoprotein (HPVE6), which is known to cause malign transformation of HPV infected cells; (2) the human Erythropoietin-producing hepatocellular carcinoma receptor B4 (EphB4), which is a receptor tyrosine kinase implicated in cancer growth and metastasis. These NIR imaging probes are intended for monitoring efficacy of treatments. The identification and experimental confirmation of NIR probe candidates for these target proteins constitutes proof-of-concept for the computer-assisted probe discovery platform used for their identification.. , Situação: Concluído; Natureza: Pesquisa. , Alunos envolvidos: Mestrado acadêmico: (2) . , Integrantes: Wely Brasil Floriano - Coordenador., Financiador(es): Lakehead University - Auxílio financeiro., Número de produções C, T & A: 2

• 2009 - 2011

  Design, development and implementation of the Biorefining-related Chemicals Database, Descrição: The objective of this project is to develop a database of biorefining-related chemical compounds to support a research program that seeks innovative uses for chemical compounds directly or indirectly obtained from biorefining processes. These are compounds that can be directly extracted from biomass, are by-products of biorefining processes, or are chemical derivatives of extractives and by-products.. , Situação: Concluído; Natureza: Pesquisa. , Alunos envolvidos: Mestrado acadêmico: (3) . , Integrantes: Wely Brasil Floriano - Coordenador., Financiador(es): Federal Economic Development Agency for Northern Ontario - Outra., Número de produções C, T & A: 4

• 2009 - 2011

  Development of taste receptor ligands using structure-activity studies, Descrição: As the primary mechanism by which animals detect nutrient-rich foods and discriminate against toxins, the sense of taste has a significant impact on health and behavior. Bitter tastes are perceived with high sensitivity and broad specificity, and can evoke strong aversive reactions that influence health-related behaviors such as dietary preference and pharmaceutical compliance. The goal of this project is to develop and validate tools for structure-activity relationship (SAR)-guided design of new taste ligands. Our partner company, Integral Molecular, has developed a novel method for SAR-guided modeling of TASRs and other GPCRs, using a high-throughput structure-function analysis strategy called ?Shotgun Mutagenesis?. Shotgun Mutagenesis enables a complete, residue-by-residue evaluation of the contribution of each amino acid to ligand-mediated function. The value of this approach is that it can rapidly and efficiently provide comprehensive experimental data for guiding structural predictions. In this project, we use such data to support the construction of a structural model of a bitter taste receptor with its ligands in order to rationally design new taste ligands. Successful use of this approach with the bitter taste receptor TAS2R16 will enable ligands of additional TASRs, and possibly other GPCRs, to be developed. The commercial product that will ultimately result from our studies will be novel bitter blockers to improve the flavor profile of non-caloric sweeteners.. , Situação: Concluído; Natureza: Pesquisa. , Integrantes: Wely Brasil Floriano - Coordenador / RUCKEL, JOSEPH B. - Integrante., Financiador(es): National Institutes of Health - Auxílio financeiro., Número de produções C, T & A: 3

• 2006 - 2009

  Selective ligands for fast identification of botulinum neurotoxin types A and B, Descrição: The objective of this project is to identify chemical compounds that can be further developed into high-quality recognition agents of botulinum neurotoxin. A good recognition agent (1) binds with high affinity to the target protein (ideally in the nM range), (2) is highly specific to the target protein, (3) has a low detection threshold (lower than the mouse bioassay detection limit of 10-20 pg/mL), (4) is safe, easy to handle and dispose, and (5) is readily available. We propose to use computational techniques to screen libraries of chemical compounds for high affinity ligands to be tested in ligand binding experimental assays. A purely experimental identification of such chemical agents requires screening of large number of chemical compounds, which is not an option because of the cost, and because of security and health risks associated with manipulation of botulinum toxin. Therefore, a combined computational/experimental approach that reduces the number of experiments is highly desirable. The expected outcomes of this project are: a set of chemical compounds with sufficient binding affinity and specificity to botulinum neurotoxin to be used as recognition agents in detection assays, an experimental protocol for the recognition assay, and a fully validated research platform that combines computational and experimental approaches to identify ligands for special-interest proteins with known 3D structures.. , Situação: Concluído; Natureza: Pesquisa. , Alunos envolvidos: Mestrado acadêmico: (2) . , Integrantes: Wely Brasil Floriano - Coordenador., Número de produções C, T & A: 3