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2020Reactivation of VX-inhibited human acetylcholinesterase by deprotonated pralidoxime. a complementary quantum mechanical studySilva, Jorge Alberto Valle da; Pereira, Ander Francisco; LaPlante, Steven R.; Kuca, Kamil; Ramalho, Teodorico Castro; França, Tanos Celmar Costa
2019Recent developments in metal-based drugs and chelating agents for neurodegenerative diseases treatmentsSales, Thais A.; Prandi, Ingrid G.; Castro, Alexandre A. de; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Kuca, Kamil; Ramalho, Teodorico C.
Ago-2019Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: theoretical and experimental aspectsPolisel, Daniel A.; Castro, Alexandre A. de; Mancini, Daiana T.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.; Kuca, Kamil
7-Mai-2018Synthesis, biological evaluation and docking studies of novel bisquaternary aldoxime reactivators on acetylcholinesterase and butyrylcholinesterase inhibited by paraoxonKuca, Kamil; Jun, Daniel; Junova, Lucie; Musilek, Kamil; Hrabinova, Martina; Silva, Jorge Alberto Valle da; Ramalho, Teodorico Castro; Valko, Marian; Wu, Qinghua; Nepovimova, Eugenie; França, Tanos Celmar Costa
2018The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational studyCuya, Teobaldo; Gonçalves, Arlan da Silva; Silva, Jorge Alberto Valle da; Ramalho, Teodorico C.; Kuca, Kamil; França, Tanos C.C.
1-Nov-2021Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its implications for the treatment of COVID-19Assis, Letícia Cristina; Castro, Alexandre Alves de; Jesus, João Paulo Almirão de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Krejcar, Ondrej; Kuca, Kamil; Ramalho, Teodorico Castro; La Porta, Felipe de Almeida
2020Theoretical studies aimed at finding FLT3 inhibitors and a promising compound and molecular pattern with dual aurora B/FLT3 activityFernandes, Ítalo Antônio; Resende, Déborah Braga; Ramalho, Teodorico Castro; Kuca, Kamil; Cunha, Elaine Fontes Ferreira da
2018Theoretical studies applied to the evaluation of the DFPase bioremediation potential against chemical warfare agents intoxicationSoares, Flávia V.; Castro, Alexandre A. de; Pereira, Ander F.; Leal, Daniel H. S.; Mancini, Daiana T.; Krejcar, Ondrej; Ramalho, Teodorico C.; Cunha, Elaine F. F. da; Kuca, Kamil
4-Out-2016Towards understanding the mechanism of action of antibacterial N-alkyl-3-hydroxypyridinium salts: Biological activities, molecular modeling and QSAR studiesDolezal, Rafael; Soukup, Ondrej; Malinak, David; Savedra, Ranylson M. L.; Marek, Jan; Dolezalova, Marie; Pasdiorova, Marketa; Salajkova, Sarka; Korabecny, Jan; Honegr, Jan; Ramalho, Teodorico C.; Kuca, Kamil
2020Trends in the recent patent literature on cholinesterase reactivators (2016-2019)Castro, Alexandre A. de; Assis, Letícia C.; Soares, Flávia V.; Kuca, Kamil; Polisel, Daniel A.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2020Understanding the interaction modes and reactivity of trimedoxime toward MmAChE inhibited by nerve agents: theoretical and experimental aspectsCastro, Alexandre A. de; Polisel, Daniel A.; Pereira, Bruna T. L.; Cunha, Elaine F. F. da; Kuca, Kamil; Nepovimova, Eugenie; Ramalho, Teodorico C.
Jan-2020Δ-FeOOH as support for immobilization peroxidase: optimization via a chemometric approachTavares, Tássia Silva; Rocha, Eduardo Pereira da; Nogueira, Francisco Guilherme Esteves; Torres, Juliana Arriel; Silva, Maria Cristina; Kuca, Kamil; Ramalho, Teodorico de Castro