In vitro antiplasmodial activity, pharmacokinetic profiles and interference in isoprenoid pathway of 2-aniline-3-hydroxy-1.4-naphthoquinone derivatives
de Sena Pereira, Valeska S, da Silva Emery, Flávio, Lobo, Lis, Nogueira, Fátima, Oliveira, Jonas I N, Fulco, Umberto L, Albuquerque, Eudenilson L, Katzin, Alejandro M, de Andrade-Neto, Valter F
Published in Malaria journal (19.12.2018)
Published in Malaria journal (19.12.2018)
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Optical Absorption of the Antitrypanocidal Drug Benznidazole inWater
Bezerra, Eveline, Bezerra-Neto, João, Sales, Francisco, Dos Santos, Ricardo, Martins, Alice, De Lima-Neto, Pedro, Caetano, Ewerton, Albuquerque, Eudenilson, Freire, Valder
Published in Molecules (Basel, Switzerland) (01.04.2014)
Published in Molecules (Basel, Switzerland) (01.04.2014)
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Vibration properties of immune‐oncological drugs
Tavares, Ana Beatriz M.L.A., Albuquerque, Eudenilson L.
Published in Journal of Raman spectroscopy (01.04.2022)
Published in Journal of Raman spectroscopy (01.04.2022)
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Intermolecular interactions of cn-716 and acyl-KR-aldehyde dipeptide inhibitors against Zika virus
Campos, Daniel M. O, Bezerra, Katyanna S, Esmaile, Stephany C, Fulco, Umberto L, Albuquerque, Eudenilson L, Oliveira, Jonas I. N
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
Published in Physical chemistry chemical physics : PCCP (21.07.2020)
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Binding energies of the drugs capreomycin and streptomycin in complex with tuberculosis bacterial ribosome subunits
Vianna, Jessica F, Bezerra, Katyanna, Oliveira, Jonas, Albuquerque, Eudenilson L, Fulco, Umberto L
Published in Physical chemistry chemical physics : PCCP (21.09.2019)
Published in Physical chemistry chemical physics : PCCP (21.09.2019)
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Ribosomal RNA–Aminoglycoside Hygromycin B Interaction Energy Calculation within a Density Functional Theory Framework
Bezerra, Katyanna S, Fulco, Umberto L, Esmaile, Stephany C, Lima Neto, José X, Machado, Leonardo D, Freire, Valder N, Albuquerque, Eudenilson L, Oliveira, Jonas I. N
Published in The journal of physical chemistry. B (01.08.2019)
Published in The journal of physical chemistry. B (01.08.2019)
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In silico description of the adsorption of cell signaling pathway proteins ovalbumin, glutathione, LC3, TLR4, ASC PYCARD, PI3K and NF-Kβ on 7.0 nm gold nanoparticles: obtaining their Lennard-Jones-like potentials through docking and molecular mechanics
Coelho, Monique M, Bezerra, Eveline M, da Costa, Roner F, de Alvarenga, Érika C, Freire, Valder N, Carvalho, Cláudia R, Pessoa, Claudia, Albuquerque, Eudenilson L, Costa, Raquel A
Published in RSC advances (30.11.2023)
Published in RSC advances (30.11.2023)
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Losartan as an ACE inhibitor: a description of the mechanism of action through quantum biochemistry
Bezerra, Eveline M, de Alvarenga, Érika C, dos Santos, Ricardo P, de Sousa, Jeanlex S, Fulco, Umberto L, Freire, Valder N, Albuquerque, Eudenilson L, da Costa, Roner F
Published in RSC advances (05.10.2022)
Published in RSC advances (05.10.2022)
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Exploring the Binding Mechanism of GABAB Receptor Agonists and Antagonists through in Silico Simulations
Lima Neto, José X, Bezerra, Katyanna S, Barbosa, Emmanuel D, Oliveira, Jonas I. N, Manzoni, Vinícius, Soares-Rachetti, Vanessa P, Albuquerque, Eudenilson L, Fulco, Umberto L
Published in Journal of chemical information and modeling (24.02.2020)
Published in Journal of chemical information and modeling (24.02.2020)
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DFT Calculations with van der Waals Interactions of Hydrated Calcium Carbonate Crystals CaCO3·(H2O, 6H2O): Structural, Electronic, Optical, and Vibrational Properties
Costa, Stefane N, Freire, Valder N, Caetano, Ewerton W. S, Maia, Francisco F, Barboza, Carlos A, Fulco, Umberto L, Albuquerque, Eudenilson L
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.07.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.07.2016)
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Nanoencapsulation of benznidazole in calcium carbonate increases its selectivity to Trypanosoma cruzi
Tessarolo, Louise Donadello, de Menezes, Ramon Róseo Paula Pessoa Bezerra, Mello, Clarissa Perdigão, Lima, Dânya Bandeira, Magalhães, Emanuel Paula, Bezerra, Eveline Matias, Sales, Francisco Adilson Matos, Barroso Neto, Ito Liberato, Oliveira, Maria de Fátima, dos Santos, Ricardo Pires, Albuquerque, Eudenilson L., Freire, Valder Nogueira, Martins, Alice Maria
Published in Parasitology (01.08.2018)
Published in Parasitology (01.08.2018)
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Exploring the Binding Mechanism of GABA B Receptor Agonists and Antagonists through in Silico Simulations
Lima Neto, José X, Bezerra, Katyanna S, Barbosa, Emmanuel D, Oliveira, Jonas I N, Manzoni, Vinícius, Soares-Rachetti, Vanessa P, Albuquerque, Eudenilson L, Fulco, Umberto L
Published in Journal of chemical information and modeling (24.02.2020)
Published in Journal of chemical information and modeling (24.02.2020)
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A quantum biochemistry investigation of willardiine partial agonism in AMPA receptors
Lima Neto, José X, Fulco, Umberto L, Albuquerque, Eudenilson L, Corso, Gilberto, Bezerra, Eveline M, Caetano, Ewerton W S, da Costa, Roner F, Freire, Valder N
Published in Physical chemistry chemical physics : PCCP (21.05.2015)
Published in Physical chemistry chemical physics : PCCP (21.05.2015)
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Explaining statin inhibition effectiveness of HMG-CoA reductase by quantum biochemistry computations
DA COSTA, Roner F, FREIRE, Valder N, BEZERRA, Eveline M, CAVADA, Benildo S, CAETANO, Ewerton W. S, DE LIMA FILHO, Jose L, ALBUQUERQUE, Eudenilson L
Published in Physical chemistry chemical physics : PCCP (01.01.2012)
Published in Physical chemistry chemical physics : PCCP (01.01.2012)
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Quantum molecular modelling of ibuprofen bound to human serum albumin
Dantas, Diego S., Oliveira, Jonas I. N., Lima Neto, José X., da Costa, Roner F., Bezerra, Eveline M., Freire, Valder N., Caetano, Ewerton W. S., Fulco, Umberto L., Albuquerque, Eudenilson L.
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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Computational biochemical investigation of the binding energy interactions between an estrogen receptor and its agonists
Lima Costa, Aranthya H., Clemente, Washington S., Bezerra, Katyanna S., Lima Neto, José X., Albuquerque, Eudenilson L., Fulco, Umberto L.
Published in New journal of chemistry (2018)
Published in New journal of chemistry (2018)
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