Synthesis, Biological Evaluation, and Docking Studies of Novel Bisquaternary Aldoxime Reactivators on Acetylcholinesterase and Butyrylcholinesterase Inhibited by Paraoxon
Kuca, Kamil, Jun, Daniel, Junova, Lucie, Musilek, Kamil, Hrabinova, Martina, da Silva, Jorge Alberto Valle, Ramalho, Teodorico Castro, Valko, Marian, Wu, Qinghua, Nepovimova, Eugenie, França, Tanos Celmar Costa
Published in Molecules (Basel, Switzerland) (07.05.2018)
Published in Molecules (Basel, Switzerland) (07.05.2018)
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Journal Article
Molecular modeling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime, 4-PA, 2-PAM, and obidoxime with VX-inhibited human acetylcholinesterase: a near attack conformation approach
da Silva, Jorge Alberto Valle, Nepovimova, Eugenie, Ramalho, Teodorico Castro, Kuca, Kamil, Celmar Costa França, Tanos
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2019)
Published in Journal of enzyme inhibition and medicinal chemistry (01.01.2019)
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Journal Article
Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study
da Silva, Jorge Alberto Valle, Pereira, Ander Francisco, LaPlante, Steven R, Kuca, Kamil, Ramalho, Teodorico Castro, França, Tanos Celmar Costa
Published in Biomolecules (Basel, Switzerland) (27.01.2020)
Published in Biomolecules (Basel, Switzerland) (27.01.2020)
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Pralidoxime-like reactivator with increased lipophilicity - Molecular modeling and in vitro study
Kuca, Kamil, Valle da Silva, Jorge Alberto, Nepovimova, Eugenie, Pham, Ngoc Lam, Wu, Wenda, Valis, Martin, Wu, Qinghua, França, Tanos Celmar Costa
Published in Chemico-biological interactions (01.11.2023)
Published in Chemico-biological interactions (01.11.2023)
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Applications of the Near Attack Conformation (NAC) approach in the search for Acetylcholinesterase reactivators
França, Tanos Celmar Costa, Valle da Silva, Jorge Alberto, dos Santos, Marcelo Carneiro, Cavalcante, Samir Frontino de Almeida, Kuca, Kamil
Published in Chemico-biological interactions (01.09.2023)
Published in Chemico-biological interactions (01.09.2023)
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Journal Article
Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation
da Silva, Jorge Alberto Valle, Modesto-Costa, Lucas, de Koning, Martijn C., Borges, Itamar, França, Tanos Celmar Costa
Published in Journal of molecular structure (15.01.2018)
Published in Journal of molecular structure (15.01.2018)
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Journal Article
Molecular modelling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime with VX-inhibited human acetylcholinesterase. A near attack approach to assess different spacer-lengths
da Silva, Jorge Alberto Valle, Nepovimova, Eugenie, Ramalho, Teodorico Castro, Kuca, Kamil, Costa França, Tanos Celmar
Published in Chemico-biological interactions (01.07.2019)
Published in Chemico-biological interactions (01.07.2019)
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Journal Article
The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study
Cuya, Teobaldo, Gonçalves, Arlan da Silva, da Silva, Jorge Alberto Valle, Ramalho, Teodorico C., Kuca, Kamil, C.C. França, Tanos
Published in Journal of biomolecular structure & dynamics (03.10.2018)
Published in Journal of biomolecular structure & dynamics (03.10.2018)
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