Browsing by Author Cunha, Elaine F. F. da

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Issue DateTitleAuthor(s)
2016Flexibility in the molecular design of acetylcholinesterase reactivators: probing representative conformations by chemometric techniques and docking/QM calculationsLima, Willian E. A. de; Pereira, Ander F.; Castro, Alexandre A. de; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
Apr-2010Host–guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling studyGrillo, Renato; Melo, Nathalie F. S. de; Araújo, Daniele R. de; Trossini, Gustavo H. G.; Cunha, Elaine F. F. da; Ramalho, Teodorico de Castro; Fraceto, Leonardo Fernandes
2014Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobasesSantos, Lucas A.; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.
2014In silico study of leishmania donovani α-β tubulin and inhibitorsAssis, Tamiris M.; Mancini, Daiana T.; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
May-2009Influence of Zn–Cd substitution: Spectroscopic and theoretical investigation of 8-hydroxyquinoline complexesRamalho, Teodorico C.; Martins, Tales L. C.; Borges, Luiz E. Pizarro; Pinho, Marcos Henrique de; Avillez, Roberto Ribeiro de; Cunha, Elaine F. F. da
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.
Oct-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
Oct-2018Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculationsAssis, Letícia C.; Castro, Alexandre A. de; Prandi, Ingrid G.; Mancini, Daiana T.; Giacoppo, Juliana O. S. de; Savedra, Ranylson M. L.; Assis, Tamiris M. de; Carregal, Juliano B.; Cunha, Elaine F. F. da; Ramalho, Teodorico Castro
2013Interactions of pyrimidine derivatives with dihydrofolate reductase and thymidylate synthase: directions toward combating toxoplasmosisAssis, Letícia C.; Santos-Garcia, Letícia; Ramalho, Teodorico C.; Cunha, Elaine F. F. da
2016Is the bioconformation of 5-deoxy-5-fluoro-D-xylulose affected by intramolecular hydrogen bonds?Guimarães, Maria C.; Silla, Josué M.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
Oct-2011Molecular aspects of the reactivation process of acetylcholinesterase inhibited by cyclosarinMatos, Karina S.; Mancini, Daiana T.; Cunha, Elaine F. F. da; Kuča, Kamil; França, Tanos C. C.; Ramalho, Teodorico C.
2016Molecular docking, metal substitution and hydrolysis reaction of chiral substrates of phosphotriesteraseCastro, Alexandre A. de; Caetano, Melissa S.; Silva, Telles C.; Mancini, Daiana T.; Rocha, Eduardo Pereira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2015Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agentsGiacoppo, Juliana O. S.; França, Tanos C. C.; Kuča, Kamil; Cunha, Elaine F. F. da; Abagyan, Ruben; Mancini, Daiana Teixeira; Ramalho, Teodorico C.
2010Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitorsCunha, Elaine F. F. da; Barbosa, Edilaine F.; Oliveira, Aline A.; Ramalho, Teodorico C.
12-Oct-2010Molecular modeling of Mycobacterium tuberculosis dUTpase: docking and catalytic mechanism studiesRamalho, Teodorico C.; Caetano, Melissa S.; Josa, Daniela; Luz, Gustavo P.; Freitas, Elisangela A.; Cunha, Elaine F. F. da
2012Molecular modeling of the toxoplasma gondii adenosine kinase inhibitorsMancini, Daiana Teixeira; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; Freitas, Matheus P.
2013Molecular modeling studies of piperidine derivatives as new acetylcholinesterase inhibitors against neurodegenerative diseasesCunha, Elaine F. F. da; Resende, José E.; França, Tanos C. C.; Gonçalves, Mateus Aquino; Souza, Felipe R. de; Santos-Garcia, Letícia; Ramalho, Teodorico C.
2012Molecular modeling studies on nucleoside hydrolase from the biological warfare agent Brucella suisMancini, Daiana Teixeira; Matos, Karina S.; Cunha, Elaine F. F. da; Assis, Tamiris M.; Guimarães, Ana P.; França, Tanos C. C.; Ramalho, Teodorico C.
16-Feb-2015Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracisGiacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.
2010New approaches to the development of anti-protozoan drug candidates: a review of patentsCunha, Elaine F. F. da; Ramalho, Teodorico C.; Mancini, Daiana T.; Fonseca, Emanuella M. B.; Oliveira, Aline A.