Ramalho TC

References (26)

Title : Pnictogen bond-driven control of the molecular interaction between organophosphorus and acetylcholinesterase enzyme - Andolpho_2024_J.Comput.Chem__
Author(s) : Andolpho GA , Ramalho TC
Ref : J Comput Chem , : , 2024
Abstract :
PubMedSearch : Andolpho_2024_J.Comput.Chem__
PubMedID: 38363124

Title : Assessing the therapeutic and toxicological profile of novel acetylcholinesterase reactivators: value of in silico and in vitro data - Ramalho_2022_Curr.Med.Chem__
Author(s) : Ramalho TC , de Castro AA , Leal DHS , Teixeira JP , de Cunha EFF , Kuca K
Ref : Curr Med Chem , : , 2022
Abstract :
PubMedSearch : Ramalho_2022_Curr.Med.Chem__
PubMedID: 36239718

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 :
PubMedSearch : da Silva_2020_Biomolecules_10_
PubMedID: 32012780

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 :
PubMedSearch : de Castro_2020_Biomolecules_10_
PubMedID: 32178264

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 :
PubMedSearch : de Castro_2020_Int.J.Mol.Sci_21_
PubMedID: 32899591

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 :
PubMedSearch : Polisel_2019_Chem.Biol.Interact_13ChEPon_309_108671
PubMedID: 31207225

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 :
PubMedSearch : de Castro_2019_Expert.Rev.Neurother_19_375
PubMedID: 30999771

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 :
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 :
PubMedSearch : da Silva_2019_Chem.Biol.Interact_13ChEPon_307_195
PubMedID: 31121152

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 :
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 :
PubMedSearch : de Castro_2018_J.Biomol.Struct.Dyn__1
PubMedID: 30044197

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 :
PubMedSearch : Kuca_2018_BMC.Pharmacol.Toxicol_19_8
PubMedID: 29467029

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 :
PubMedSearch : Kuca_2018_Molecules_23_
PubMedID: 29735900

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 :
PubMedSearch : Soares_2018_Int.J.Mol.Sci_19_
PubMedID: 29690585

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 :
PubMedSearch : Cuya_2017_J.Biomol.Struct.Dyn__1
PubMedID: 29019446

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 :
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 :
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 :
PubMedSearch : de Lima_2016_J.Biomol.Struct.Dyn__1
PubMedID: 27125569

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 :
PubMedSearch : de Castro_2016_Comb.Chem.High.Throughput.Screen_19_334
PubMedID: 27012528

Title : Towards understanding the mechanism of action of antibacterial N-alkyl-3-hydroxypyridinium salts: Biological activities, molecular modeling and QSAR studies - Dolezal_2016_Eur.J.Med.Chem_121_699
Author(s) : Dolezal R , Soukup O , Malinak D , Savedra RML , Marek J , Dolezalova M , Pasdiorova M , Salajkova S , Korabecny J , Honegr J , Ramalho TC , Kuca K
Ref : Eur Journal of Medicinal Chemistry , 121 :699 , 2016
Abstract :
PubMedSearch : Dolezal_2016_Eur.J.Med.Chem_121_699
PubMedID: 27341309

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 :
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 :
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 :
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 :
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 :
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 :
PubMedSearch : Ramalho_2010_Chem.Biol.Interact_185_73
PubMedID: 20188081