Full name : Costa Franca Tanos Celmar
First name : Tanos Celmar Costa
Mail : Military Institute of Engeneering IME\; Rua Lauro Muller 46\; apto 1201\; Botafogo -Rio de Janeiro RJ\; Rio de Janeiro 22290-160.
Zip Code :
City :
Country : Brazil
Email : tanos@ime.eb.br
Phone :
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Directory :
| Title : Molecular modeling of Mannich phenols as reactivators of human acetylcholinesterase inhibited by A-series nerve agents - Vieira_2023_Chem.Biol.Interact_14ChEPon_110622 |
| Author(s) : Vieira LA , Almeida J , De Koning MC , LaPlante SR , Borges I , Franca TCC |
| Ref : Chemico-Biological Interactions , :110622 , 2023 |
| Abstract : Vieira_2023_Chem.Biol.Interact_14ChEPon_110622 |
| ESTHER : Vieira_2023_Chem.Biol.Interact_14ChEPon_110622 |
| PubMedSearch : Vieira_2023_Chem.Biol.Interact_14ChEPon_110622 |
| PubMedID: 37442286 |
| Title : In vitro comparison of the acetylcholinesterase inhibition caused by V- and A-series nerve agents' surrogates - Kitagawa_2023_Chem.Biol.Interact_14ChEPon_110678 |
| Author(s) : Kitagawa DAS , Dos Santos MC , Kuca K , Franca TCC , Cavalcante SFA |
| Ref : Chemico-Biological Interactions , 383 :110678 , 2023 |
| Abstract : Kitagawa_2023_Chem.Biol.Interact_14ChEPon_110678 |
| ESTHER : Kitagawa_2023_Chem.Biol.Interact_14ChEPon_110678 |
| PubMedSearch : Kitagawa_2023_Chem.Biol.Interact_14ChEPon_110678 |
| PubMedID: 37595776 |
| Title : Pralidoxime-like reactivator with increased lipophilicity - Molecular modeling and in vitro study - Kuca_2023_Chem.Biol.Interact_14ChEPon_110734 |
| Author(s) : Kuca K , Valle da Silva JA , Nepovimova E , Pham NL , Wu W , Valis M , Wu Q , Franca TCC |
| Ref : Chemico-Biological Interactions , :110734 , 2023 |
| Abstract : Kuca_2023_Chem.Biol.Interact_14ChEPon_110734 |
| ESTHER : Kuca_2023_Chem.Biol.Interact_14ChEPon_110734 |
| PubMedSearch : Kuca_2023_Chem.Biol.Interact_14ChEPon_110734 |
| PubMedID: 37788753 |
| Title : Applications of the Near Attack Conformation (NAC) approach in the search for Acetylcholinesterase reactivators - Franca_2023_Chem.Biol.Interact_14ChEPon_382_110619 |
| Author(s) : Franca TCC , Valle da Silva JA , Dos Santos MC , Cavalcante SFA , Kuca K |
| Ref : Chemico-Biological Interactions , 382 :110619 , 2023 |
| Abstract : Franca_2023_Chem.Biol.Interact_14ChEPon_382_110619 |
| ESTHER : Franca_2023_Chem.Biol.Interact_14ChEPon_382_110619 |
| PubMedSearch : Franca_2023_Chem.Biol.Interact_14ChEPon_382_110619 |
| PubMedID: 37406983 |
| Title : Are the current commercially available oximes capable of reactivating acetylcholinesterase inhibited by the nerve agents of the A-series? - Santos_2022_Arch.Toxicol__ |
| Author(s) : Santos MC , Botelho FD , Goncalves AS , Kitagawa DAS , Borges CVN , Carvalho-Silva T , Bernardo LB , Ferreira CN , Rodrigues RB , Ferreira Neto DC , Nepovimova E , Kuca K , LaPlante SR , Lima ALS , Franca TCC , Cavalcante SFA |
| Ref : Archives of Toxicology , : , 2022 |
| Abstract : Santos_2022_Arch.Toxicol__ |
| ESTHER : Santos_2022_Arch.Toxicol__ |
| PubMedSearch : Santos_2022_Arch.Toxicol__ |
| PubMedID: 35666269 |
| Title : Theoretical assessment of the performances of commercial oximes on the reactivation of acetylcholinesterase inhibited by the nerve agent A-242 (novichok) - Santos_2022_Food.Chem.Toxicol__113084 |
| Author(s) : Santos MC , Botelho FD , Goncalves AS , Kuca K , Nepovimova E , Cavalcante SFA , Lima ALS , Franca TCC |
| Ref : Food & Chemical Toxicology , :113084 , 2022 |
| Abstract : Santos_2022_Food.Chem.Toxicol__113084 |
| ESTHER : Santos_2022_Food.Chem.Toxicol__113084 |
| PubMedSearch : Santos_2022_Food.Chem.Toxicol__113084 |
| PubMedID: 35489467 |
| Title : N-substituted arylhydroxamic acids as acetylcholinesterase reactivators - Bondar_2022_Chem.Biol.Interact__110078 |
| Author(s) : Bondar D , Kapitanov I , Pulkrabkova L , Soukup O , Jun D , Diniz FB , Franca TCC , Kuca K , Karpichev Y |
| Ref : Chemico-Biological Interactions , :110078 , 2022 |
| Abstract : Bondar_2022_Chem.Biol.Interact__110078 |
| ESTHER : Bondar_2022_Chem.Biol.Interact__110078 |
| PubMedSearch : Bondar_2022_Chem.Biol.Interact__110078 |
| PubMedID: 35940282 |
| Title : Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators - Kitagawa_2021_J.Enzyme.Inhib.Med.Chem_36_1370 |
| Author(s) : Kitagawa DAS , Rodrigues RB , Silva TN , Dos Santos WV , da Rocha VCV , de Almeida JSFD , Bernardo LB , Carvalho-Silva T , Ferreira CN , da Silva AAT , Simas ABC , Nepovimova E , Kuca K , Franca TCC , Cavalcante SFA |
| Ref : J Enzyme Inhib Med Chem , 36 :1370 , 2021 |
| Abstract : Kitagawa_2021_J.Enzyme.Inhib.Med.Chem_36_1370 |
| ESTHER : Kitagawa_2021_J.Enzyme.Inhib.Med.Chem_36_1370 |
| PubMedSearch : Kitagawa_2021_J.Enzyme.Inhib.Med.Chem_36_1370 |
| PubMedID: 34148470 |
| Title : Design, synthesis, molecular modeling and neuroprotective effects of a new framework of cholinesterase inhibitors for Alzheimer's disease - Zanon_2020_J.Biomol.Struct.Dyn__1 |
| Author(s) : Zanon VS , Lima JA , Amaral RF , Lima FRS , Kitagawa DAS , Franca TCC , Vargas MD |
| Ref : J Biomol Struct Dyn , :1 , 2020 |
| Abstract : Zanon_2020_J.Biomol.Struct.Dyn__1 |
| ESTHER : Zanon_2020_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Zanon_2020_J.Biomol.Struct.Dyn__1 |
| PubMedID: 32715924 |
| Title : Molecular Modeling Study of Uncharged Oximes Compared to HI-6 and 2-PAM Inside Human AChE Sarin and VX Conjugates - Souza_2020_ACS.Omega_5_4490 |
| Author(s) : Souza FR , Rodrigues Garcia D , Cuya T , Pimentel AS , Goncalves ADS , Alencastro RB , Franca TCC |
| Ref : ACS Omega , 5 :4490 , 2020 |
| Abstract : Souza_2020_ACS.Omega_5_4490 |
| ESTHER : Souza_2020_ACS.Omega_5_4490 |
| PubMedSearch : Souza_2020_ACS.Omega_5_4490 |
| PubMedID: 32175496 |
| Title : Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study - da Silva_2020_Biomolecules_10_ |
| Author(s) : da Silva JAV , Pereira AF , LaPlante SR , Kuca K , Ramalho TC , Franca TCC |
| Ref : Biomolecules , 10 : , 2020 |
| Abstract : da Silva_2020_Biomolecules_10_ |
| ESTHER : da Silva_2020_Biomolecules_10_ |
| PubMedSearch : da Silva_2020_Biomolecules_10_ |
| PubMedID: 32012780 |
| Title : Acetylcholinesterase: The Hub for Neurodegenerative Diseases and Chemical Weapons Convention - Cavalcante_2020_Biomolecules_10_ |
| Author(s) : Cavalcante SFA , Simas ABC , Barcellos MC , de Oliveira VGM , Sousa RB , Cabral PAM , Kuca K , Franca TCC |
| Ref : Biomolecules , 10 : , 2020 |
| Abstract : Cavalcante_2020_Biomolecules_10_ |
| ESTHER : Cavalcante_2020_Biomolecules_10_ |
| PubMedSearch : Cavalcante_2020_Biomolecules_10_ |
| PubMedID: 32155996 |
| Title : Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors - Botelho_2020_Toxins.(Basel)_12_ |
| Author(s) : Botelho FD , Dos Santos MC , Goncalves ADS , Kuca K , Valis M , LaPlante SR , Franca TCC , de Almeida J |
| Ref : Toxins (Basel) , 12 : , 2020 |
| Abstract : Botelho_2020_Toxins.(Basel)_12_ |
| ESTHER : Botelho_2020_Toxins.(Basel)_12_ |
| PubMedSearch : Botelho_2020_Toxins.(Basel)_12_ |
| PubMedID: 33256167 |
| Title : Review about structure and evaluation of reactivators of Acetylcholinesterase inhibited with neurotoxic organophosphorus compounds - Figueroa-Villar_2020_Curr.Med.Chem__ |
| Author(s) : Figueroa-Villar JD , Petronilho EC , Kuca K , Franca TCC |
| Ref : Curr Med Chem , : , 2020 |
| Abstract : Figueroa-Villar_2020_Curr.Med.Chem__ |
| ESTHER : Figueroa-Villar_2020_Curr.Med.Chem__ |
| PubMedSearch : Figueroa-Villar_2020_Curr.Med.Chem__ |
| PubMedID: 32334495 |
| Title : Novichoks: The Dangerous Fourth Generation of Chemical Weapons - Franca_2019_Int.J.Mol.Sci_20_ |
| Author(s) : Franca TCC , Kitagawa DAS , Cavalcante SFA , da Silva JAV , Nepovimova E , Kuca K |
| Ref : Int J Mol Sci , 20 : , 2019 |
| Abstract : Franca_2019_Int.J.Mol.Sci_20_ |
| ESTHER : Franca_2019_Int.J.Mol.Sci_20_ |
| PubMedSearch : Franca_2019_Int.J.Mol.Sci_20_ |
| PubMedID: 30862059 |
| Title : In Vitro Evaluation of Neutral Aryloximes as Reactivators for Electrophorus eel Acetylcholinesterase Inhibited by Paraoxon - Kitagawa_2019_Biomolecules_9_ |
| Author(s) : Kitagawa DAS , Cavalcante SFA , de Paula RL , Rodrigues RB , Bernardo LB , da Silva MCJ , da Silva TN , Dos Santos WV , Granjeiro JM , de Almeida JSFD , Barcellos MC , de ACAB , Franca TCC , Kuca K , Simas ABC |
| Ref : Biomolecules , 9 : , 2019 |
| Abstract : Kitagawa_2019_Biomolecules_9_ |
| ESTHER : Kitagawa_2019_Biomolecules_9_ |
| PubMedSearch : Kitagawa_2019_Biomolecules_9_ |
| PubMedID: 31597234 |
| Title : Synthesis of New Quinoline-Piperonal Hybrids as Potential Drugs against Alzheimer's Disease - de Oliveira_2019_Int.J.Mol.Sci_20_ |
| Author(s) : de Oliveira CBJ , Neto DCF , de Almeida JSFD , Lima JA , Kuca K , Franca TCC , Figueroa-Villar JD |
| Ref : Int J Mol Sci , 20 : , 2019 |
| Abstract : de Oliveira_2019_Int.J.Mol.Sci_20_ |
| ESTHER : de Oliveira_2019_Int.J.Mol.Sci_20_ |
| PubMedSearch : de Oliveira_2019_Int.J.Mol.Sci_20_ |
| PubMedID: 31416113 |
| Title : Chemical Composition and Biological Activities of Metania and Drulia (Metaniidae) Freshwater Sponges from Amazonia - Manco_2019_Chem.Biodivers_16_e1900318 |
| Author(s) : Manco da Costa Bolson GC , Bezerra de Barros I , Volkmer-Ribeiro C , Alencar Lima J , Franca TCC , Santos I , Puccinelli Orlandi P , Florencio da Veiga-Junior V |
| Ref : Chem Biodivers , 16 :e1900318 , 2019 |
| Abstract : Manco_2019_Chem.Biodivers_16_e1900318 |
| ESTHER : Manco_2019_Chem.Biodivers_16_e1900318 |
| PubMedSearch : Manco_2019_Chem.Biodivers_16_e1900318 |
| PubMedID: 31364803 |
| Title : 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_2019_J.Enzyme.Inhib.Med.Chem_34_1018 |
| Author(s) : da Silva JAV , Nepovimova E , Ramalho TC , Kuca K , Franca TCC |
| Ref : J Enzyme Inhib Med Chem , 34 :1018 , 2019 |
| Abstract : da Silva_2019_J.Enzyme.Inhib.Med.Chem_34_1018 |
| ESTHER : da Silva_2019_J.Enzyme.Inhib.Med.Chem_34_1018 |
| PubMedSearch : da Silva_2019_J.Enzyme.Inhib.Med.Chem_34_1018 |
| PubMedID: 31074292 |
| Title : 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_2019_Chem.Biol.Interact_13ChEPon_307_195 |
| Author(s) : da Silva JAV , Nepovimova E , Ramalho TC , Kuca K , Franca TCC |
| Ref : Chemico-Biological Interactions , 307 :195 , 2019 |
| Abstract : da Silva_2019_Chem.Biol.Interact_13ChEPon_307_195 |
| ESTHER : da Silva_2019_Chem.Biol.Interact_13ChEPon_307_195 |
| PubMedSearch : da Silva_2019_Chem.Biol.Interact_13ChEPon_307_195 |
| PubMedID: 31121152 |
| Title : Surface screening, molecular modeling and in vitro studies on the interactions of aflatoxin M1 and human enzymes acetyl- and butyrylcholinesterase - de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113 |
| Author(s) : de Almeida JSFD , Cavalcante SFA , Dolezal R , Kuca K , Musilek K , Jun D , Franca TCC |
| Ref : Chemico-Biological Interactions , 308 :113 , 2019 |
| Abstract : de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113 |
| ESTHER : de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113 |
| PubMedSearch : de Almeida_2019_Chem.Biol.Interact_13ChEPon_308_113 |
| PubMedID: 31100275 |
| Title : Interactions of human butyrylcholinesterase with phenylvalerate and acetylthiocholine as substrates and inhibitors: kinetic and molecular modeling approaches - Estevez_2019_Arch.Toxicol_93_1281 |
| Author(s) : Estevez J , Rodrigues de Souza F , Romo M , Mangas I , Franca TCC , Vilanova E |
| Ref : Archives of Toxicology , 93 :1281 , 2019 |
| Abstract : Estevez_2019_Arch.Toxicol_93_1281 |
| ESTHER : Estevez_2019_Arch.Toxicol_93_1281 |
| PubMedSearch : Estevez_2019_Arch.Toxicol_93_1281 |
| PubMedID: 30877329 |
| Title : Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: Theoretical and experimental aspects - Polisel_2019_Chem.Biol.Interact_13ChEPon_309_108671 |
| Author(s) : Polisel DA , de Castro AA , Mancini DT , da Cunha EFF , Franca TCC , Ramalho TC , Kuca K |
| Ref : Chemico-Biological Interactions , 309 :108671 , 2019 |
| Abstract : Polisel_2019_Chem.Biol.Interact_13ChEPon_309_108671 |
| ESTHER : Polisel_2019_Chem.Biol.Interact_13ChEPon_309_108671 |
| PubMedSearch : Polisel_2019_Chem.Biol.Interact_13ChEPon_309_108671 |
| PubMedID: 31207225 |
| Title : Biodegradation of Organophosphorus Compounds Predicted by Enzymatic Process Using Molecular Modelling and Observed in Soil Samples Through Analytical Techniques and Microbiological Analysis: A Comparison - Cardozo_2019_Molecules_25_ |
| Author(s) : Cardozo M , de Almeida J , Cavalcante SFA , Salgado JRS , Goncalves AS , Franca TCC , Kuca K , Bizzo HR |
| Ref : Molecules , 25 : , 2019 |
| Abstract : Cardozo_2019_Molecules_25_ |
| ESTHER : Cardozo_2019_Molecules_25_ |
| PubMedSearch : Cardozo_2019_Molecules_25_ |
| PubMedID: 31878010 |
| Title : Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate - Cavalcante_2019_Chem.Biol.Interact_13ChEPon_309_108682 |
| Author(s) : Cavalcante SFA , Kitagawa DAS , Rodrigues RB , Bernardo LB , da Silva TN , Dos Santos WV , Correa ABA , de Almeida JSFD , Franca TCC , Kuca K , Simas ABC |
| Ref : Chemico-Biological Interactions , 309 :108682 , 2019 |
| Abstract : Cavalcante_2019_Chem.Biol.Interact_13ChEPon_309_108682 |
| ESTHER : Cavalcante_2019_Chem.Biol.Interact_13ChEPon_309_108682 |
| PubMedSearch : Cavalcante_2019_Chem.Biol.Interact_13ChEPon_309_108682 |
| PubMedID: 31163137 |
| Title : A molecular modeling study of components of the ginger (Zingiber officinale) extract inside human butyrylcholinesterase: implications for Alzheimer disease - |
| Author(s) : Cuya T , Franca TCC |
| Ref : J Biomol Struct Dyn , :1 , 2019 |
| PubMedID: 31304886 |
| Title : Synthesis, Biological Evaluation, and Docking Studies of Novel Bisquaternary Aldoxime Reactivators on Acetylcholinesterase and Butyrylcholinesterase Inhibited by Paraoxon - Kuca_2018_Molecules_23_ |
| Author(s) : Kuca K , Jun D , Junova L , Musilek K , Hrabinova M , da Silva JAV , Ramalho TC , Valko M , Wu Q , Nepovimova E , Franca TCC |
| Ref : Molecules , 23 : , 2018 |
| Abstract : Kuca_2018_Molecules_23_ |
| ESTHER : Kuca_2018_Molecules_23_ |
| PubMedSearch : Kuca_2018_Molecules_23_ |
| PubMedID: 29735900 |
| Title : In-vitro evaluation studies of 7-chloro-4-aminoquinoline Schiff bases and their copper complexes as cholinesterase inhibitors - Zanon_2018_J.Inorg.Biochem_191_183 |
| Author(s) : Zanon VS , Lima JA , Cuya T , Lima FRS , da Fonseca ACC , Gomez JG , Ribeiro RR , Franca TCC , Vargas MD |
| Ref : J Inorg Biochem , 191 :183 , 2018 |
| Abstract : Zanon_2018_J.Inorg.Biochem_191_183 |
| ESTHER : Zanon_2018_J.Inorg.Biochem_191_183 |
| PubMedSearch : Zanon_2018_J.Inorg.Biochem_191_183 |
| PubMedID: 30530179 |
| Title : Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon - de Paula_2018_Molecules_23_ |
| Author(s) : de Paula RL , de Almeida JSFD , Cavalcante SFA , Goncalves AS , Simas ABC , Franca TCC , Valis M , Kuca K , Nepovimova E , Granjeiro JM |
| Ref : Molecules , 23 : , 2018 |
| Abstract : de Paula_2018_Molecules_23_ |
| ESTHER : de Paula_2018_Molecules_23_ |
| PubMedSearch : de Paula_2018_Molecules_23_ |
| PubMedID: 30424582 |
| Title : Molecular Modeling Studies on the Interactions of Aflatoxin B1 and Its Metabolites with Human Acetylcholinesterase. Part II: Interactions with the Catalytic Anionic Site (CAS) - de Almeida_2018_Toxins.(Basel)_10_ |
| Author(s) : de Almeida JSFD , Dolezal R , Krejcar O , Kuca K , Musilek K , Jun D , Franca TCC |
| Ref : Toxins (Basel) , 10 : , 2018 |
| Abstract : de Almeida_2018_Toxins.(Basel)_10_ |
| ESTHER : de Almeida_2018_Toxins.(Basel)_10_ |
| PubMedSearch : de Almeida_2018_Toxins.(Basel)_10_ |
| PubMedID: 30257474 |
| Title : Quantification through TLC-densitometric analysis, repellency and anticholinesterase activity of the homemade extract of Indian cloves - Affonso_2018_Biomed.Chromatogr_32_ |
| Author(s) : Affonso RS , Lima JA , Lessa BM , Caetano JVO , Obara MT , Nobrega AB , Nepovimova E , Musilek K , Kuca K , Slana G , Franca TCC |
| Ref : Biomedical Chromatography , 32 : , 2018 |
| Abstract : Affonso_2018_Biomed.Chromatogr_32_ |
| ESTHER : Affonso_2018_Biomed.Chromatogr_32_ |
| PubMedSearch : Affonso_2018_Biomed.Chromatogr_32_ |
| PubMedID: 28913959 |
| Title : Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site (PAS) of human acetylcholinesterase - de Almeida_2018_J.Biomol.Struct.Dyn__1 |
| Author(s) : de Almeida JSFD , Cavalcante SFA , Dolezal R , Kuca K , Musilek K , Jun D , Franca TCC |
| Ref : J Biomol Struct Dyn , :1 , 2018 |
| Abstract : de Almeida_2018_J.Biomol.Struct.Dyn__1 |
| ESTHER : de Almeida_2018_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : de Almeida_2018_J.Biomol.Struct.Dyn__1 |
| PubMedID: 29749305 |
| Title : A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase - Kuca_2018_BMC.Pharmacol.Toxicol_19_8 |
| Author(s) : Kuca K , Musilek K , Jun D , Karasova JZ , Nepovimova E , Soukup O , Hrabinova M , Mikler J , Franca TCC , da Cunha EFF , de Castro AA , Valis M , Ramalho TC |
| Ref : BMC Pharmacol Toxicol , 19 :8 , 2018 |
| Abstract : Kuca_2018_BMC.Pharmacol.Toxicol_19_8 |
| ESTHER : Kuca_2018_BMC.Pharmacol.Toxicol_19_8 |
| PubMedSearch : Kuca_2018_BMC.Pharmacol.Toxicol_19_8 |
| PubMedID: 29467029 |
| Title : The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: A computational study - Cuya_2017_J.Biomol.Struct.Dyn__1 |
| Author(s) : Cuya T , Goncalves ADS , da Silva JAV , Ramalho TC , Kuca K , Franca TCC |
| Ref : J Biomol Struct Dyn , :1 , 2017 |
| Abstract : Cuya_2017_J.Biomol.Struct.Dyn__1 |
| ESTHER : Cuya_2017_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Cuya_2017_J.Biomol.Struct.Dyn__1 |
| PubMedID: 29019446 |
| Title : New semicarbazones as gorge-spanning ligands of acetylcholinesterase and potential new drugs against Alzheimer's disease: Synthesis, molecular modeling, NMR and biological evaluation - Neto_2017_J.Biomol.Struct.Dyn__1 |
| Author(s) : Neto DCF , Lima JA , de Almeida JSFD , Franca TCC , Nascimento CJD , Figueroa Villar JD |
| Ref : J Biomol Struct Dyn , :1 , 2017 |
| Abstract : Neto_2017_J.Biomol.Struct.Dyn__1 |
| ESTHER : Neto_2017_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Neto_2017_J.Biomol.Struct.Dyn__1 |
| PubMedID: 29198175 |
| Title : New insights on molecular interactions of organophosphorus pesticides with esterases - Mangas_2017_Toxicology_376_30 |
| Author(s) : Mangas I , Estevez J , Vilanova E , Franca TCC |
| Ref : Toxicology , 376 :30 , 2017 |
| Abstract : Mangas_2017_Toxicology_376_30 |
| ESTHER : Mangas_2017_Toxicology_376_30 |
| PubMedSearch : Mangas_2017_Toxicology_376_30 |
| PubMedID: 27311923 |
| Title : A molecular dynamics study of components of the ginger (Zingiber officinale) extract inside human acetylcholinesterase: Implications for Alzheimer disease - Cuya_2017_J.Biomol.Struct.Dyn__2 |
| Author(s) : Cuya T , Baptista L , Franca TCC |
| Ref : J Biomol Struct Dyn , :1 , 2017 |
| Abstract : Cuya_2017_J.Biomol.Struct.Dyn__2 |
| ESTHER : Cuya_2017_J.Biomol.Struct.Dyn__2 |
| PubMedSearch : Cuya_2017_J.Biomol.Struct.Dyn__2 |
| PubMedID: 29096599 |
| Title : Behavior of uncharged oximes compared to HI6 and 2-PAM in the human AChE-Tabun conjugate: A molecular modeling approach - de Souza_2017_J.Biomol.Struct.Dyn__1 |
| Author(s) : de Souza FR , Garcia DR , Guizado TC , Kuca K , de Alencastro RB , Franca TCC |
| Ref : J Biomol Struct Dyn , :1 , 2017 |
| Abstract : de Souza_2017_J.Biomol.Struct.Dyn__1 |
| ESTHER : de Souza_2017_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : de Souza_2017_J.Biomol.Struct.Dyn__1 |
| PubMedID: 28446076 |
| Title : Computational Enzymology and Organophosphorus Degrading Enzymes: Promising Approaches Toward Remediation Technologies of Warfare Agents and Pesticides - Ramalho_2016_Curr.Med.Chem_23_1041 |
| Author(s) : Ramalho TC , de Castro AA , Silva DR , Silva MC , Franca TCC , Bennion BJ , Kuca K |
| Ref : Curr Med Chem , 23 :1041 , 2016 |
| Abstract : Ramalho_2016_Curr.Med.Chem_23_1041 |
| ESTHER : Ramalho_2016_Curr.Med.Chem_23_1041 |
| PubMedSearch : Ramalho_2016_Curr.Med.Chem_23_1041 |
| PubMedID: 26898655 |
| Title : Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase - de Almeida_2016_J.Biomol.Struct.Dyn_34_2632 |
| Author(s) : de Almeida JSFD , Guizado TR , Guimaraes AP , Ramalho TC , Goncalves AS , De Koning MC , Franca TCC |
| Ref : J Biomol Struct Dyn , 34 :2632 , 2016 |
| Abstract : de Almeida_2016_J.Biomol.Struct.Dyn_34_2632 |
| ESTHER : de Almeida_2016_J.Biomol.Struct.Dyn_34_2632 |
| PubMedSearch : de Almeida_2016_J.Biomol.Struct.Dyn_34_2632 |
| PubMedID: 26612005 |
| Title : Mechanistic studies of new oximes reactivators of human butyrylcholinesterase inhibited by cyclosarin and sarin - de Lima_2016_J.Biomol.Struct.Dyn__1 |
| Author(s) : de Lima WE , Francisco A , da Cunha EFF , Radic Z , Taylor P , Franca TCC , Ramalho TC |
| Ref : J Biomol Struct Dyn , :1 , 2016 |
| Abstract : de Lima_2016_J.Biomol.Struct.Dyn__1 |
| ESTHER : de Lima_2016_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : de Lima_2016_J.Biomol.Struct.Dyn__1 |
| PubMedID: 27125569 |
| Title : Resolving pathways of interaction of mipafox and a sarin analog with human acetylcholinesterase by kinetics, mass spectrometry and molecular modeling approaches - Mangas_2016_Arch.Toxicol_90_603 |
| Author(s) : Mangas I , Taylor P , Vilanova E , Estevez J , Franca TCC , Komives E , Radic Z |
| Ref : Archives of Toxicology , 90 :603 , 2016 |
| Abstract : Mangas_2016_Arch.Toxicol_90_603 |
| ESTHER : Mangas_2016_Arch.Toxicol_90_603 |
| PubMedSearch : Mangas_2016_Arch.Toxicol_90_603 |
| PubMedID: 25743373 |
| Title : Computational studies of acetylcholinesterase complexed with fullerene derivatives: A new insight for Alzheimer disease treatment - Goncalves_2015_J.Biomol.Struct.Dyn__1 |
| Author(s) : Goncalves AD , Franca TCC , Vital de Oliveira O |
| Ref : J Biomol Struct Dyn , :1 , 2015 |
| Abstract : Goncalves_2015_J.Biomol.Struct.Dyn__1 |
| ESTHER : Goncalves_2015_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Goncalves_2015_J.Biomol.Struct.Dyn__1 |
| PubMedID: 26219766 |
| Title : Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents - Giacoppo_2015_J.Biomol.Struct.Dyn_33_2048 |
| Author(s) : Giacoppo JO , Franca TCC , Kuca K , da Cunha EFF , Abagyan R , Mancini DT , Ramalho TC |
| Ref : J Biomol Struct Dyn , 33 :2048 , 2015 |
| Abstract : Giacoppo_2015_J.Biomol.Struct.Dyn_33_2048 |
| ESTHER : Giacoppo_2015_J.Biomol.Struct.Dyn_33_2048 |
| PubMedSearch : Giacoppo_2015_J.Biomol.Struct.Dyn_33_2048 |
| PubMedID: 25407587 |
| Title : Chemical warfare: perspectives on reactivating the enzyme acetylcholinesterase inhibited by organophosphates - Giacoppo_2014_Mil.Med.Sci.Lett_83_165 |
| Author(s) : Giacoppo JO , de Lima WE , Kuca K , da Cunha EFF , Franca TCC , Ramalho TC |
| Ref : Military Medical Science Letters , 83 :165 , 2014 |
| Abstract : Giacoppo_2014_Mil.Med.Sci.Lett_83_165 |
| ESTHER : Giacoppo_2014_Mil.Med.Sci.Lett_83_165 |
| PubMedSearch : Giacoppo_2014_Mil.Med.Sci.Lett_83_165 |
| PubMedID: |
| Title : Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM\/MM methods - da Silva Goncalves_2014_J.Biomol.Struct.Dyn_32_301 |
| Author(s) : da Silva Goncalves A , Franca TCC , Caetano MS , Ramalho TC |
| Ref : J Biomol Struct Dyn , 32 :301 , 2014 |
| Abstract : da Silva Goncalves_2014_J.Biomol.Struct.Dyn_32_301 |
| ESTHER : da Silva Goncalves_2014_J.Biomol.Struct.Dyn_32_301 |
| PubMedSearch : da Silva Goncalves_2014_J.Biomol.Struct.Dyn_32_301 |
| PubMedID: 23527625 |
| Title : First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans? - Matos_2012_J.Biomol.Struct.Dyn_30_546 |
| Author(s) : Matos KS , da Cunha EFF , da Silva Goncalves A , Wilter A , Kuca K , Franca TCC , Ramalho TC |
| Ref : J Biomol Struct Dyn , 30 :546 , 2012 |
| Abstract : Matos_2012_J.Biomol.Struct.Dyn_30_546 |
| ESTHER : Matos_2012_J.Biomol.Struct.Dyn_30_546 |
| PubMedSearch : Matos_2012_J.Biomol.Struct.Dyn_30_546 |
| PubMedID: 22731788 |
| Title : Development of new acetylcholinesterase reactivators: molecular modeling versus in vitro data - Ramalho_2010_Chem.Biol.Interact_185_73 |
| Author(s) : Ramalho TC , Franca TCC , Renno MN , Guimaraes AP , da Cunha EFF , Kuca K |
| Ref : Chemico-Biological Interactions , 185 :73 , 2010 |
| Abstract : Ramalho_2010_Chem.Biol.Interact_185_73 |
| ESTHER : Ramalho_2010_Chem.Biol.Interact_185_73 |
| PubMedSearch : Ramalho_2010_Chem.Biol.Interact_185_73 |
| PubMedID: 20188081 |