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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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

Switzerland: MDPI AG

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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
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 [Peer Reviewed Journal]

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 [Peer Reviewed Journal]

Switzerland: MDPI AG

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10
In Silico Studies of Potential Selective Inhibitors of Thymidylate Kinase from Variola virus
In Silico Studies of Potential Selective Inhibitors of Thymidylate Kinase from Variola virus
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In Silico Studies of Potential Selective Inhibitors of Thymidylate Kinase from Variola virus

Garcia, Danielle R. ; Souza, Felipe R. ; Guimarães, Ana P. ; Valis, Martin ; Pavelek, Zbyšek ; Kuca, Kamil ; Ramalho, Teodorico C. ; França, Tanos C. C.

Pharmaceuticals (Basel, Switzerland), 2021-10, Vol.14 (10), p.1027 [Peer Reviewed Journal]

Basel: MDPI AG

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