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Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment
Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment
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Dioxygen Binding in the Active Site of Histone Demethylase JMJD2A and the Role of the Protein Environment

Cortopassi, Wilian A. ; Simion, Robert ; Honsby, Charles E. ; França, Tanos C. C. ; Paton, Robert S.

Chemistry : a European journal, 2015-12, Vol.21 (52), p.18983-18992 [Periódico revisado por pares]

Weinheim: WILEY-VCH Verlag

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2
Are the current commercially available oximes capable of reactivating acetylcholinesterase inhibited by the nerve agents of the A-series?
Are the current commercially available oximes capable of reactivating acetylcholinesterase inhibited by the nerve agents of the A-series?
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Are the current commercially available oximes capable of reactivating acetylcholinesterase inhibited by the nerve agents of the A-series?

Santos, Marcelo C. ; Botelho, Fernanda D. ; Gonçalves, Arlan S. ; Kitagawa, Daniel A. S. ; Borges, Caio V. N. ; Carvalho-Silva, Taynara ; Bernardo, Leandro B. ; Ferreira, Cíntia N. ; Rodrigues, Rafael B. ; Ferreira Neto, Denise C. ; Nepovimova, Eugenie ; Kuča, Kamil ; LaPlante, Steven R. ; Lima, Antonio L. S. ; França, Tanos C. C. ; Cavalcante, Samir F. A.

Archives of toxicology, 2022-09, Vol.96 (9), p.2559-2572 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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3
Theoretical and experimental studies of new modified isoflavonoids as potential inhibitors of topoisomerase I from Plasmodium falciparum
Theoretical and experimental studies of new modified isoflavonoids as potential inhibitors of topoisomerase I from Plasmodium falciparum
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Theoretical and experimental studies of new modified isoflavonoids as potential inhibitors of topoisomerase I from Plasmodium falciparum

Cortopassi, Wilian A ; Penna-Coutinho, Julia ; Aguiar, Anna C C ; Pimentel, André S ; Buarque, Camilla D ; Costa, Paulo R R ; Alves, Bruna R M ; França, Tanos C C ; Krettli, Antoniana U Rénia, Laurent

PloS one, 2014-03, Vol.9 (3), p.e91191 [Periódico revisado por pares]

United States: Public Library of Science

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4
Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification
Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification
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Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification

França, Tanos C. C. ; Saïdi, Fares ; Ajamian, Alain ; Islam, Salim T. ; LaPlante, Steven R.

ACS omega, 2024-03, Vol.9 (11), p.13217-13226 [Periódico revisado por pares]

United States: American Chemical Society

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5
Jumping from Fragment to Drug via Smart Scaffolds
Jumping from Fragment to Drug via Smart Scaffolds
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Jumping from Fragment to Drug via Smart Scaffolds

Farahani, Majid D. ; França, Tanos C. C. ; Alapour, Saba ; Shahout, Fatma ; Boulon, Richard ; Iddir, Mustapha ; Maddalena, Michael ; Ayotte, Yann ; LaPlante, Steven R.

ChemMedChem, 2022-05, Vol.17 (10), p.e202200092-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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6
Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins
Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins
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Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins

Ali, Zeeshan ; Cardoza, Jyothsna Volisha ; Basak, Srijita ; Narsaria, Utkarsh ; Singh, Vijay Pratap ; Isaac, Samuel Paul ; França, Tanos C. C. ; LaPlante, Steven R. ; George, Sudhan S.

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (22), p.13348-13367 [Periódico revisado por pares]

England: Taylor & Francis

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7
Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors
Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors
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Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Botelho, Fernanda D ; Dos Santos, Marcelo C ; Gonçalves, Arlan da S ; Kuca, Kamil ; Valis, Martin ; LaPlante, Steven R ; França, Tanos C C ; de Almeida, Joyce S F D

Toxins, 2020-11, Vol.12 (12), p.746 [Periódico revisado por pares]

Switzerland: MDPI AG

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8
Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin
Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin
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Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin

França, Tanos C. C. ; Botelho, Fernanda D. ; Drummond, Michael L. ; LaPlante, Steven R.

ACS omega, 2022-09, Vol.7 (36), p.32805-32815 [Periódico revisado por pares]

American Chemical Society

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9
Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease
Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease
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Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease

de Oliveira C Brum, Juliana ; Neto, Denise Cristian F ; de Almeida, Joyce Sobreiro F D ; Lima, Josélia Alencar ; Kuca, Kamil ; França, Tanos Celmar C ; Figueroa-Villar, José D

International journal of molecular sciences, 2019-08, Vol.20 (16), p.3944 [Periódico revisado por pares]

Switzerland: MDPI AG

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10
Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison
Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison
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Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison

Cardozo, Monique ; de Almeida, Joyce S F D ; Cavalcante, Samir F de A ; Salgado, Jacqueline R S ; Gonçalves, Arlan S ; França, Tanos C C ; Kuca, Kamil ; Bizzo, Humberto R

Molecules (Basel, Switzerland), 2019-12, Vol.25 (1), p.58 [Periódico revisado por pares]

Switzerland: MDPI AG

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