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2023Assessing the therapeutic and toxicological profile of novel acetylcholinesterase reactivators: value of in silico and in vitro dataRamalho, Teodorico de C.; Castro, Alexandre A. de; Leal, Daniel H.S.; Teixeira, Jessika P.; Cunha, Elaine F.F. da; Kuca, Kamil
2017Can inhibitors of snake venom phospholipases a2 lead to new insights into anti-inflammatory therapy in humans? A theoretical studySales, Thaís A.; Marcussi, Silvana; Cunha, Elaine F. F. da; Kuca, Kamil; Ramalho, Teodorico C.
2016Computational enzymology and organophosphorus degrading enzymes: promising approaches toward remediation technologies of warfare agents and pesticidesRamalho, Teodorico C.; Castro, Alexandre A. de; Silva, Daniela R.; Silva, Maria Cristina; Franca, Tanos C. C.; Bennion, Brian J.; Kuca, Kamil
18-Mar-2021Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infectionAssis, Letícia C.; Castro, Alexandre A. de; Jesus, João P. A. de; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.; La Porta, Felipe A.
2016Current approaches against Alzheimer's disease in clinical trialsKuca, Kamil; Soukup, Ondrej; Maresova, Petra; Korabecny, Jan; Nepovimova, Eugenie; Klimova, Blanka; Honegr, Jan; Ramalho, Teodorico C.; França, Tanos C. C.
7-Out-2021Effect of drug metabolism in the treatment of SARS-CoV-2 from an entirely computational perspectiveJesus, João Paulo Almirão de; Assis, Letícia Cristina; Castro, Alexandre Alves de; Cunha, Elaine Fontes Ferreira da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico de Castro; La Porta, Felipe de Almeida
2019Experimental hydrophilic reactivator: bisoxime with three positive chargesKuca, Kamil; Nepovimova, Eugenie; Wu, Qinghua; Souza, Felipe Rodrigues de; Ramalho, Teodorico de Castro; Franca, Tanos Celmar Costa; Musilek, Kamil
2019First attempts of the use of 195Pt NMR of phenylbenzothiazole complexes as spectroscopic technique for the cancer diagnosisPereira, Bruna T. L.; Gonçalves, Mateus A.; Mancini, Daiana T.; Kuca, Kamil; Ramalho, Teodorico C.
12-Abr-2021Hybrid materials based on magnetic iron oxides with benzothiazole derivatives: a plausible potential spectroscopy probeCorrêa, Silviana; Rosa, Isael Aparecido; Andolpho, Gustavo A.; Assis, Letícia Cristina de; Pires, Maíra dos S.; Lacerda, Lívia C. T.; Nogueira, Francisco G. E.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
9-Out-2021In silico studies of potential selective inhibitors of thymidylate kinase from Variola virusGarcia, Danielle R.; Souza, Felipe R.; Guimarães, Ana P.; Valis, Martin; Pavelek, Zbyšek; Kuca, Kamil; Ramalho, Teodorico C.; França, Tanos C. C.
2018Insights into the drug repositioning applied to the alzheimer's disease treatment and future perspectivesCastro, Alexandre A. de; Cunha, Elaine F. F. da; Pereira, Ander F.; Soares, Flavia V.; Leal, Daniel H. S.; Kuca, Kamil; Ramalho, Teodorico C.
Out-2018Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: current status and future expectationsRamalho, Teodorico C.; Castro, Alexandre A. de; Tavares, Tássia S.; Silva, Maria C.; Silva, Daniela R.; Cesar, Pedro H.; Santos, Lucas A.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil
2019Molecular 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 approachSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2019Molecular modelling studies on the interactions of 7-methoxytacrine-4-pyridinealdoxime with VX-inhibited human acetylcholinesterase: a near attack approach to assess different spacer-lengthsSilva, Jorge Alberto Valle da; Nepovimova, Eugenie; Ramalho, Teodorico Castro; Kuca, Kamil; França, Tanos Celmar Costa
2018A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesteraseKuca, Kamil; Musilek, Kamil; Jun, Daniel; Zdarova-Karasova, Jana; Nepovimova, Eugenie; Soukup, Ondrej; Hrabinova, Martina; Mikler, John; Franca, Tanos C. C.; Cunha, Elaine F. F. da; Castro, Alexandre A. de; Valis, Martin; Ramalho, Teodorico C.
2019Non-conventional compounds with potential therapeutic effects against Alzheimer’s diseaseCastro, Alexandre A. de; Soares, Flávia V.; Pereira, Ander F.; Polisel, Daniel A.; Caetano, Melissa S.; Leal, Daniel H. S.; Cunha, Elaine F. F. da; Nepovimova, Eugenie; Kuca, Kamil; Ramalho, Teodorico C.
2017Organophosphorus degrading enzymes: molecular basis and perspectives for enzymatic bioremediation of agrochemicalsCastro, Alexandre Alves de; Prandi, Ingrid Guarnetti; Kuca, Kamil; Ramalho, Teodorico Castro
2018Oxime K033: reactivation activity of cholinesterases inhibited by various nerve agents and organophosphorus pesticidesKuca, Kamil; Musilek, Kamil; Jun, Daniel; Pejchal, Jaroslav; Krejcar, Ondrej; Penhaker, Marek; Wu, Qinghua; Lopes, Raquel O.; Ramalho, Teodorico C.; Franca, Tanos C.C.; Nepovimova, Eugenie; Soukup, Ondrej
2020Oxime K074: in vitro and in silico reactivation of acetylcholinesterase inhibited by nerve agents and pesticidesKuca, Kamil; Musilek, Kamil; Jun, Daniel; Nepovimova, Eugenie; Soukup, Ondrej; Korabecny, Jan; França, Tanos C. C.; Castro, Alexandre A. de; Krejcar, Ondrej; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Out-2015Parallel flexible molecular docking in computational chemistry on high performance computing clustersDoleza, Rafael; Ramalho, Teodorico C.; França, Tanos C. C.; Kuca, Kamil