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
Published in Molecules (Basel, Switzerland) (23.12.2019)
Published in Molecules (Basel, Switzerland) (23.12.2019)
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Journal Article
Acetylcholinesterase: The "Hub" for Neurodegenerative Diseases and Chemical Weapons Convention
Cavalcante, Samir F de A, Simas, Alessandro B C, Barcellos, Marcos C, de Oliveira, Victor G M, Sousa, Roberto B, Cabral, Paulo A de M, Kuča, Kamil, França, Tanos C C
Published in Biomolecules (Basel, Switzerland) (07.03.2020)
Published in Biomolecules (Basel, Switzerland) (07.03.2020)
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Journal Article
Synthesis and in vitro assessment of the reactivation profile of clinically available oximes on the acetylcholinesterase model inhibited by A-230 nerve agent surrogate
Bernardo, Leandro B., Borges, Caio V. N., Buitrago, Pedro A. G., Kuča, Kamil, Cavalcante, Samir F. A., Sousa, Roberto B., Lima, Antônio L. S., Kitagawa, Daniel A. S.
Published in Archives of toxicology (01.10.2024)
Published in Archives of toxicology (01.10.2024)
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Journal Article
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.
Published in Archives of toxicology (01.09.2022)
Published in Archives of toxicology (01.09.2022)
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Journal Article
Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon
de Paula, Reuel L, de Almeida, Joyce S F D, Cavalcante, Samir F A, Gonçalves, Arlan S, Simas, Alessandro B C, Franca, Tanos C C, Valis, Martin, Kuca, Kamil, Nepovimova, Eugenie, Granjeiro, José M
Published in Molecules (Basel, Switzerland) (12.11.2018)
Published in Molecules (Basel, Switzerland) (12.11.2018)
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Journal Article
Quantum mechanical reference spectrum simulation for precursors and degradation products of chemicals relevant to the Chemical Weapons Convention
Koskela, Harri, Cavalcante, Samir F. de A., Ahmed, Samim, Vanninen, Paula
Published in Magnetic resonance in chemistry (01.02.2021)
Published in Magnetic resonance in chemistry (01.02.2021)
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Journal Article
Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators
Kitagawa, Daniel A. S., Rodrigues, Rafael B., Silva, Thiago N., dos Santos, Wellington V., da Rocha, Vinicius C. V., de Almeida, Joyce S. F. D., Bernardo, Leandro B., Carvalho-Silva, Taynara, Ferreira, Cintia N., da Silva, Angelo A. T., Simas, Alessandro B. C., Nepovimova, Eugenie, Kuča, Kamil, França, Tanos C. C., Cavalcante, Samir F. de A.
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2021)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2021)
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Journal Article
Theoretical assessment of the performances of commercial oximes on the reactivation of acetylcholinesterase inhibited by the nerve agent A-242 (novichok)
Santos, Marcelo C., Botelho, Fernanda D., Gonçalves, Arlan S., Kuca, Kamil, Nepovimova, Eugenie, Cavalcante, Samir F.A., Lima, Antonio L.S., França, Tanos C.C.
Published in Food and chemical toxicology (01.07.2022)
Published in Food and chemical toxicology (01.07.2022)
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Journal Article
Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase
de Almeida, Joyce S. F. D., Cavalcante, Samir F. A., Dolezal, Rafael, Kuca, Kamil, Musilek, Kamil, Jun, Daniel, França, Tanos C. C.
Published in Journal of biomolecular structure & dynamics (24.05.2019)
Published in Journal of biomolecular structure & dynamics (24.05.2019)
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Journal Article
Searching for potential drugs against SARS-CoV-2 through virtual screening on several molecular targets
Almeida, Joyce S. F. D., Botelho, Fernanda D., de Souza, Felipe R., dos Santos, Marcelo C., Goncalves, Arlan da Silva, Rodrigues, Rodrigo L. B., Cardozo, Monique, Kitagawa, Daniel A. S., Vieira, Leandro A., Silva, Raphael S. F., Cavalcante, Samir F. A., Bastos, Leonardo da C., Nogueira, Mariana de O. T., de Santana, Priscila I. R., Brum, Juliana de O. C., Nepovimova, Eugenie, Kuca, Kamil, LaPlante, Steven R., Galante, Erick B. F., Franca, Tanos C. C.
Published in Journal of biomolecular structure & dynamics (08.01.2021)
Published in Journal of biomolecular structure & dynamics (08.01.2021)
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Journal Article
In vitro comparison of the acetylcholinesterase inhibition caused by V- and A-series nerve agents’ surrogates
Kitagawa, Daniel A.S., dos Santos, Marcelo C., Kuča, Kamil, França, Tanos C.C., Cavalcante, Samir F. de A.
Published in Chemico-biological interactions (25.09.2023)
Published in Chemico-biological interactions (25.09.2023)
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Journal Article
Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate
Cavalcante, Samir F. de A., Kitagawa, Daniel A.S., Rodrigues, Rafael B., Bernardo, Leandro B., da Silva, Thiago N., dos Santos, Wellington V., Correa, Ana Beatriz de A., de Almeida, Joyce S.F.D., França, Tanos C.C., Kuča, Kamil, Simas, Alessandro B.C.
Published in Chemico-biological interactions (25.08.2019)
Published in Chemico-biological interactions (25.08.2019)
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Journal Article
Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase
de Almeida, Joyce S.F.D., Cavalcante, Samir F.de A., Dolezal, Rafael, Kuca, Kamil, Musilek, Kamil, Jun, Daniel, França, Tanos C.C.
Published in Chemico-biological interactions (01.08.2019)
Published in Chemico-biological interactions (01.08.2019)
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Journal Article
STRAIGHTFORWARD, ECONOMICAL PROCEDURES FOR MICROSCALE ELLMAN'S TEST FOR CHOLINESTERASE INHIBITION AND REACTIVATION
Samir F. de A. Cavalcante, Daniel A. S. Kitagawa, Rafael B. Rodrigues, Monique Cardozo, Reuel L. de Paula, Ana Beatriz de A. Correa, Alessandro B. C. Simas
Published in Química Nova
Published in Química Nova
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Journal Article
In Vitro Evaluation of Neutral Aryloximes as Reactivators for Electrophorus eel Acetylcholinesterase Inhibited by Paraoxon
Kitagawa, Daniel A S, Cavalcante, Samir F de A, de Paula, Reuel L, Rodrigues, Rafael B, Bernardo, Leandro B, da Silva, Munique C J, da Silva, Thiago N, Dos Santos, Wellington V, Granjeiro, José M, de Almeida, Joyce S F D, Barcellos, Marcos C, de A Correa, Ana Beatriz, França, Tanos C C, Kuča, Kamil, Simas, Alessandro B C
Published in Biomolecules (Basel, Switzerland) (08.10.2019)
Published in Biomolecules (Basel, Switzerland) (08.10.2019)
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Journal Article
Synthesis, experimental and molecular dynamics simulation of the ESI-CID spectrum of the nerve agent Novichok analog O-2-methoxyethyl N- [bis(dimethylamino)methylidene]-P-methylphosphonamidate
Carvalho-Silva, Taynara, Modesto-Costa, Lucas, Borges, Caio V.N., Cavalcante, Samir F.A., Sousa, Roberto B., Lima, Antonio L.S., Borges, Itamar
Published in International journal of mass spectrometry (01.08.2023)
Published in International journal of mass spectrometry (01.08.2023)
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Journal Article
Carbamates: Are they "Good" or "Bad Guys"?
Voris, Diego, Cavalcante, Samir, Borges, Caio, Lima, Antonio
Published in Journal of the Brazilian Chemical Society (2024)
Published in Journal of the Brazilian Chemical Society (2024)
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Journal Article
Understanding Synthesis Parameters for Thionation of Phosphonates Associated with the Chemical Weapons Convention through Principal Component Analysis
Borges, Caio, Bernardo, Leandro, Cavalcante, Samir, Lima, Antônio
Published in Journal of the Brazilian Chemical Society (2024)
Published in Journal of the Brazilian Chemical Society (2024)
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Journal Article
One-Pot Synthesis of NEMP, a VX Surrogate, and Reactivation of NEMP-Inhibited Electrophorus Eel Acetylcholinesterase by Current Antidotes
Cavalcante, Samir, Kitagawa, Daniel, Rodrigues, Rafael, Silva, Taynara, Bernardo, Leandro, Correa, Ana Beatriz, Simas, Alessandro
Published in Journal of the Brazilian Chemical Society (01.05.2019)
Published in Journal of the Brazilian Chemical Society (01.05.2019)
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Journal Article