Gabriela Barreiro

Eurofarma (Brazil) — Brazil

Computer Science · Physical Sciences

17h-index1.5kcitations38works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(9), Crystallization and Solubility Studies(5), X-ray Diffraction in Crystallography(5), Protein Structure and Dynamics(4), HIV Research and Treatment(4)

Publications38 total

Fragment Screening by Weak Affinity Chromatography Identifies Ligands for <i>Neisseria gonorrhoeae</i> Undecaprenyl Diphosphate Synthase
2025Open Access
Functionalization of 2,4-Dichloropyrimidines by 2,2,6,6-Tetramethylpiperidyl Zinc Base Enables Modular Synthesis of Antimalarial Diaminopyrimidine P218 and Analogues
The Journal of Organic Chemistry·2023· 4 cited
MEDICINA - VISÃO ANATÔMICA DO TRANSPLANTE RENAL
Editora Conhecimento Livre eBooks·2020
ANOMALIAS ANATÔMICAS CONGÊNITAS DE FUSÃO: RIM EM FERRADURA
Editora Conhecimento Livre eBooks·2020
Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation
Journal of Medicinal Chemistry·2018· 41 citedOpen Access
CCDC 1829109: Experimental Crystal Structure Determination
The Cambridge Structural Database·2018Open Access
Discovery and Characterization of (<i>R</i>)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-<i>c</i>][1,4]oxazin-4(9<i>H</i>)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates
Journal of Medicinal Chemistry·2017· 9 citedOpen Access
アミノエチル由来β‐セクレターゼ(BACE1)阻害剤:アニリド機能なしでのGly230の引き付け
Journal of Medicinal Chemistry·2017
Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality
Journal of Medicinal Chemistry·2016· 42 citedOpen Access
Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction
Journal of Chemical Information and Modeling·2016· 13 cited
Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors
Journal of Medicinal Chemistry·2015· 78 citedOpen Access
Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design
Journal of Medicinal Chemistry·2015· 45 citedOpen Access
CCDC 1052960: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Utilizing CYP2D6 and BACE1 Structure Complexes to Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors
2015· 1 cited
CCDC 1052962: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
CCDC 1052961: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Discovery and Preclinical Characterization of 1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1 <i>H</i> -pyrazolo-[3,4- <i>b</i> ]pyrazine (PF470): A Highly Potent, Selective, and Efficacious Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator
Journal of Medicinal Chemistry·2014· 51 citedOpen Access
P4–288: Effect of A673T mutation on APP processing by BACE1 and its significance for Alzheimer's disease therapeutic research
Alzheimer s & Dementia·2013· 1 cited
Spirocyclic Sulfamides as β-Secretase 1 (BACE-1) Inhibitors for the Treatment of Alzheimer’s Disease: Utilization of Structure Based Drug Design, WaterMap, and CNS Penetration Studies To Identify Centrally Efficacious Inhibitors
Journal of Medicinal Chemistry·2012· 60 citedOpen Access
Comparing Conformational Ensembles Using the Kullback–Leibler Divergence Expansion
Journal of Chemical Theory and Computation·2012· 92 citedOpen Access
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Frequent Co-authors

Michael A. Brodney(11), David Riddell(11), Kevin Ogilvie(11), Brian T. O’Neill(11), Christopher R. Butler(10), Charles E. Nolan(10), Cathleen Gonzales(10), Ashley Robshaw(10), Shawn D. Doran(10), Leanne M. Buzon(10), Xinjun Hou(10), Luis Martinez-Alsina(10), Elizabeth M. Beck(9), Kevin Atchison(9), John C. Murray(9), Cristiano R. W. Guimarães(8), Kevin Parris(8), Bruce N. Rogers(8), Jason K. Dutra(7), Ricardo Bicca de Alencastro(7)