Investigating the Molecular Basis for the Selective Inhibition of Aldehyde Dehydrogenase 2 by the Isoflavonoid Daidzin
da Silva Cunha, Thayssa Tavares, de Souza, Felipe Rodrigues, de Sena Murteira Pinheiro, Pedro, de Sant'Anna, Carlos Maurício Rabello, Noël, François, Costa França, Tanos Celmar, Manssour Fraga, Carlos Alberto
Published in CNS & neurological disorders drug targets (01.01.2020)
Published in CNS & neurological disorders drug targets (01.01.2020)
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Journal Article
Chemical Composition and Biological Activities of Metania and Drulia (Metaniidae) Freshwater Sponges from Amazonia
Manço da Costa Bolson, Glaucia Cristina, Bezerra de Barros, Iuri, Volkmer‐Ribeiro, Cecília, Alencar Lima, Josélia, Celmar Costa França, Tanos, Santos, Ivanildes, Puccinelli Orlandi, Patrícia, Florêncio da Veiga‐Junior, Valdir
Published in Chemistry & biodiversity (01.08.2019)
Published in Chemistry & biodiversity (01.08.2019)
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Journal Article
Molecular Modeling Study of Uncharged Oximes Compared to HI‑6 and 2‑PAM Inside Human AChE Sarin and VX Conjugates
Souza, Felipe Rodrigues de, Rodrigues Garcia, Danielle, Cuya, Teobaldo, Pimentel, André Silva, Gonçalves, Arlan da Silva, Alencastro, Ricardo Bicca de, França, Tanos Celmar Costa
Published in ACS omega (10.03.2020)
Published in ACS omega (10.03.2020)
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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
New insights on molecular interactions of organophosphorus pesticides with esterases
Mangas, Iris, Estevez, Jorge, Vilanova, Eugenio, França, Tanos Celmar Costa
Published in Toxicology (Amsterdam) (01.02.2017)
Published in Toxicology (Amsterdam) (01.02.2017)
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Journal Article
Development of Nitrocellulose-based Propellants With Natural Stabilizers
Leonard Barboza Rodrigues, Rodrigo, Ferrapontoff Lemos, Maurício, Celmar Costa França, Tanos, Gonçalvez Mendonça Filho, Letivan
Published in Journal of aerospace technology and management (01.01.2019)
Published in Journal of aerospace technology and management (01.01.2019)
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Journal Article
The Search for Antidotes Against Ricin
Botelho, Fernanda Diniz, Franca, Tanos Celmar Costa, LaPlante, Steven R
Published in Mini reviews in medicinal chemistry (01.01.2024)
Published in Mini reviews in medicinal chemistry (01.01.2024)
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Journal Article
Antimalarial activity of potential inhibitors of Plasmodium falciparum lactate dehydrogenase enzyme selected by docking studies
Penna-Coutinho, Julia, Cortopassi, Wilian Augusto, Oliveira, Aline Alves, França, Tanos Celmar Costa, Krettli, Antoniana Ursine
Published in PloS one (14.07.2011)
Published in PloS one (14.07.2011)
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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
Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods
da Silva Gonçalves, Arlan, França, Tanos Celmar Costa, Caetano, Melissa Soares, Ramalho, Teodorico Castro
Published in Journal of biomolecular structure & dynamics (01.02.2014)
Published in Journal of biomolecular structure & dynamics (01.02.2014)
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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
Modeling studies on the role of vitamins B1 (thiamin), B3 (nicotinamide), B6 (pyridoxamine), and caffeine as potential leads for the drug design against COVID-19
Aghamohammadi, Mohammad, Sirouspour, Mehdi, Goncalves, Arlan S., França, Tanos Celmar Costa, LaPlante, Steven R., Shahdousti, Parvin
Published in Journal of molecular modeling (01.12.2022)
Published in Journal of molecular modeling (01.12.2022)
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Journal Article
Combinations of essential oils as effective green stabilizers for single base propellants
Langendorf da Silva, José Daniel, Rodrigues, Rodrigo Leonard Barboza, Rosato, Rogério, Lemos, Maurício Ferrapontoff, Filho, Letivan Mendonça, França, Tanos Celmar Costa, Peixoto, Fernando Cunha
Published in Propellants, explosives, pyrotechnics (01.10.2023)
Published in Propellants, explosives, pyrotechnics (01.10.2023)
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Journal Article
Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestis
França, Tanos Celmar Costa, Guimarães, Ana Paula, Cortopassi, Wilian Augusto, Oliveira, Aline Alves, Ramalho, Teodorico Castro
Published in Current computer-aided drug design (01.12.2013)
Published in Current computer-aided drug design (01.12.2013)
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Journal Article
New semicarbazones as gorge-spanning ligands of acetylcholinesterase and potential new drugs against Alzheimer's disease: Synthesis, molecular modeling, NMR, and biological evaluation
Ferreira Neto, Denise Cristian, Alencar Lima, Josélia, Sobreiro Francisco Diz de Almeida, Joyce, Costa França, Tanos Celmar, Jorge do Nascimento, Claudia, Figueroa Villar, José Daniel
Published in Journal of biomolecular structure & dynamics (18.11.2018)
Published in Journal of biomolecular structure & dynamics (18.11.2018)
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Journal Article
Can green nitrocellulose-based propellants be made through the replacement of diphenylamine by the natural product curcumin?
Rodrigues, Rodrigo Leonard Barboza, Gomes Buitrago, Pedro Augusto, Nakano, Nami Lavigne, Peixoto, Fernando Cunha, Lemos, Maurício Ferrapontoff, França, Tanos Celmar Costa, Mendonça Filho, Letivan Gonçalvez
Published in Journal of energetic materials (03.04.2022)
Published in Journal of energetic materials (03.04.2022)
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