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| Title : Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects - de Castro_2020_Int.J.Mol.Sci_21_ |
| Author(s) : de Castro AA , Polisel DA , Pereira BTL , da Cunha EFF , Kuca K , Nepovimova E , Ramalho TC |
| Ref : Int J Mol Sci , 21 : , 2020 |
| Abstract : de Castro_2020_Int.J.Mol.Sci_21_ |
| ESTHER : de Castro_2020_Int.J.Mol.Sci_21_ |
| PubMedSearch : de Castro_2020_Int.J.Mol.Sci_21_ |
| PubMedID: 32899591 |
| Title : Trends in the Recent Patent Literature on Cholinesterase Reactivators (2016-2019) - de Castro_2020_Biomolecules_10_ |
| Author(s) : de Castro AA , Assis LC , Soares FV , Kuca K , Polisel DA , da Cunha EFF , Ramalho TC |
| Ref : Biomolecules , 10 : , 2020 |
| Abstract : de Castro_2020_Biomolecules_10_ |
| ESTHER : de Castro_2020_Biomolecules_10_ |
| PubMedSearch : de Castro_2020_Biomolecules_10_ |
| PubMedID: 32178264 |
| Title : Non-conventional compounds with potential therapeutic effects against Alzheimer's disease - de Castro_2019_Expert.Rev.Neurother_19_375 |
| Author(s) : de Castro AA , Soares FV , Pereira AF , Polisel DA , Caetano MS , Leal DHS , da Cunha EFF , Nepovimova E , Kuca K , Ramalho TC |
| Ref : Expert Rev Neurother , 19 :375 , 2019 |
| Abstract : de Castro_2019_Expert.Rev.Neurother_19_375 |
| ESTHER : de Castro_2019_Expert.Rev.Neurother_19_375 |
| PubMedSearch : de Castro_2019_Expert.Rev.Neurother_19_375 |
| PubMedID: 30999771 |
| 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 : Development of technologies applied to the biodegradation of warfare nerve agents: Theoretical evidence for asymmetric homogeneous catalysis - Pereira_2019_Chem.Biol.Interact_13ChEPon_308_323 |
| Author(s) : Pereira AF , de Castro AA , Soares FV , Soares Leal DH , da Cunha EFF , Mancini DT , Ramalho TC |
| Ref : Chemico-Biological Interactions , 308 :323 , 2019 |
| Abstract : Pereira_2019_Chem.Biol.Interact_13ChEPon_308_323 |
| ESTHER : Pereira_2019_Chem.Biol.Interact_13ChEPon_308_323 |
| PubMedSearch : Pereira_2019_Chem.Biol.Interact_13ChEPon_308_323 |
| PubMedID: 31173750 |
| Title : Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: Chemometrics, Molecular Docking and Hybrid QM\/MM calculations - de Castro_2018_J.Biomol.Struct.Dyn__1 |
| Author(s) : de Castro AA , Soares FV , Pereira AF , Silva TC , Silva DR , Mancini DT , Caetano MS , da Cunha EFF , Ramalho TC |
| Ref : J Biomol Struct Dyn , :1 , 2018 |
| Abstract : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| ESTHER : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : de Castro_2018_J.Biomol.Struct.Dyn__1 |
| PubMedID: 30044197 |
| Title : Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication - Soares_2018_Int.J.Mol.Sci_19_ |
| Author(s) : Soares FV , de Castro AA , Pereira AF , Leal DHS , Mancini DT , Krejcar O , Ramalho TC , da Cunha EFF , Kuca K |
| Ref : Int J Mol Sci , 19 : , 2018 |
| Abstract : Soares_2018_Int.J.Mol.Sci_19_ |
| ESTHER : Soares_2018_Int.J.Mol.Sci_19_ |
| PubMedSearch : Soares_2018_Int.J.Mol.Sci_19_ |
| PubMedID: 29690585 |
| 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 : Molecular Docking, Metal Substitution and Hydrolysis Reaction of Chiral Substrates of Phosphotriesterase - de Castro_2016_Comb.Chem.High.Throughput.Screen_19_334 |
| Author(s) : de Castro AA , Caetano MS , Silva TC , Mancini DT , Rocha EP , da Cunha EFF , Ramalho TC |
| Ref : Comb Chem High Throughput Screen , 19 :334 , 2016 |
| Abstract : de Castro_2016_Comb.Chem.High.Throughput.Screen_19_334 |
| ESTHER : de Castro_2016_Comb.Chem.High.Throughput.Screen_19_334 |
| PubMedSearch : de Castro_2016_Comb.Chem.High.Throughput.Screen_19_334 |
| PubMedID: 27012528 |
| 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 : 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 : Computational evidence for the reactivation process of human acetylcholinesterase inhibited by carbamates - Matos_2014_Comb.Chem.High.Throughput.Screen_17_554 |
| Author(s) : Matos KS , da Cunha EFF , Abagyan R , Ramalho TC |
| Ref : Comb Chem High Throughput Screen , 17 :554 , 2014 |
| Abstract : Matos_2014_Comb.Chem.High.Throughput.Screen_17_554 |
| ESTHER : Matos_2014_Comb.Chem.High.Throughput.Screen_17_554 |
| PubMedSearch : Matos_2014_Comb.Chem.High.Throughput.Screen_17_554 |
| PubMedID: 24344993 |
| 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 : 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 |