Final programme - Oral sessions

Sunday  9 September 2018
18.00 - 19.30 19.00                   S01
Plenary lectures
Chair: Patrick Masson, Kamil Kuca
18.00 - 18.45 S01-1 Chronic illness from organophosphorus toxicant exposure
Oksana Lockridge
18.45 - 19.30 S01-2 The Catalytic Power of Phosphotriesterases for the Hydrolysis and Destruction of Organophosphorus Nerve Agents
Frank Raushel
19.30 - 21.00             Welcome party

Monday  10 September 2018
08.15 - 08.30   Opening ceremony
08.30 - 11.30   S02 Structure and dynamics of cholinesterases and OP hydrolases
Chair: Yuan-Ping Pang, Joel Sussman
08.30 - 08.50 S02-1 Recent Breakthroughs in the Structure/Function Studies of Acetylcholinesterase
Joel Sussman
08.50 - 09.10 S02-2 Coupling of Acetylcholinesterase to the Interfacial Phase State
Israel Silman
09.10 - 09.30 S02-3 The other side of AChE: Allosteric sites and modulators
Nuria E. Campillo
09.30 - 09.50 S02-4 Partial unfolding of insect acetylcholinesterase: Steps toward cysteine-targeting insecticides
Yuan-Ping Pang
09.50 - 10.10   Coffee break
10.10 - 10.30 S02-5 The protonation state of Glu197 and its important role in stabilizing catalytic triad of butyrylcholinesterase
Junjun Liu
10.30 - 10.50 S02-6 Recipes to design specific ligands of human butyrylcholinesterase
Florian Nachon
10.50 - 11.10 S02-7 Exploring the evolutionary potential of the αE7 carboxylesterase
Galen Correy
11.10 - 11.30 S02-8 Protein dynamics of phosphotriesterase: Two cations required for enzyme catalysis
Yuan-Ping Pang
11.30 - 12.30   Lunch and posters
12.30 - 15.15 S03
Interaction of cholinesterases with substrates, inhibitors and reactivators
Chair: Terrone Rosenberry, Franz Worek
12.30 - 12.50 S03-1 New Progress in Drug Design, Discovery and Development Involving Cholinesterases
Chang-Guo Zhan
12.50 - 13.10 S03-2 In searching for the mechanism of butyrylcholinesterase activators
Jure Stojan
13.10 - 13.30 S03-3 Computational analysis of reaction mechanisms for optimization of butyrylcholinesterase-based catalytic bioscavengers against organophosphorus agents
Sofya Lushchekina
13.30 - 13.50 S03-4 Enhancement in pyridinium oxime-assisted reactivation of tabun-inhibited acetylcholinesterase achieved by active site mutations
Zrinka Kovarik
13.50 - 14.10 S03-5 The search for resistance-breaking and species-selective mosquitocidal inhibitors of Anopheles gambiae AChE
Paul Carlier
14.10 - 14.30 S03-6 Steric Effects in the Decarbamoylation of Carbamoylated Acetylcholinesterase
Terrone Rosenberry
14.30 - 14.45 S03-7 Assessment of scoring functions for AChE-ligand interactions
Goran Šinko
14.45 - 15.00 S03-8 Phenyl valerate esterase activity of human cholinesterases
Jorge Estévez
15.00 - 15.15 S03-9 Effects of memantine and its metabolite Mrz 2/373 on soman-induced inhibition of bovine erythrocyte acetylcholinesterase in vitro
Miloš Stojiljković
15.15 - 15.40   Coffee break
15.40 - 18.10 S04 Reactivators of AChE, OP inhibitors - mechanism of toxicity, detection and analytical methods, diagnosis of exposure, detoxification and therapy; counter-terrorism strategies
Chair: Franz Worek, Terrone Rosenberry
15.40 - 16.00 S04-1 Oximes with ortho-positioned chlorine moiety exhibit improved physical-chemical properties, efficient reactivation of inhibited human acetylcholinesterase and reduced in vivo toxicity
Kamil Musilek
16.00 - 16.20 S04-2 Design and synthesis of bifunctional fluoropyridinaldoxime reactivators for nerve agent-inhibited human acetylcholinesterase
Jagadeesh Yerri
16.20 - 16.40 S04-3 Combination of oximes with overlapping reactivation spectra: obidoxime and HI-6
Timo Wille
16.40 - 17.00 S04-4 Design of broad spectrum antidotes
Fredrik Ekström
17.00 - 17.15 S04-5 Demonstration of the First Small Molecule Therapeutics for  Resurrection of the Aged form of Acetylcholinesterase after Exposure to Organophosphorus Chemical Nerve Agents and Pesticides
Andrew Franjesevic
17.15 - 17.30 S04-6 Nanotechnology strategies using oximes-loaded lipid nanoparticles for brain protection against organophosphorus poisoning
Tatiana Pashirova
17.30 - 17.50 S04-7 Utilizing Structure-Activity Relationships and Mechanistic Insights to Design Non-Oxime Reactivators
Linn Cadieux
17.50 - 18.10 S04-8 New Non-Oxime Reactivators of Organophosphate Inhibited Acetylcholinesterase with Promising Reactivation Potency
Martijn de Koning

Tuesday  11 September 2018
08.00 - 09.40 S05 Enzymes and proteins other than ChEs interacting with OP
Chair: Oksana Lockridge, Patrick Masson
08.00 - 08.20 S05-1 Identifying axonal transport-related targets for reversing the adverse effects of organophosphate exposure
Alvin Terry
08.20 - 08.40 S05-2 Diagnosis of Poisoning with О-Isobutyl-S-[2-(diethylamino)ethyl]methylphosphonothioate (VR) under Antidotal Therapy with Carboxim
Nadezhda Koryagina
08.40 - 09.00 S05-3 Copper-dependent hydrolysis of trichloronate by turkey serum and albumin
Damianys Almenares López
09.00 - 09.20 S05-4 Mass spectral detection of diethoxyphospho-tyrosine adducts on proteins from HEK293 cells using monoclonal antibody depY for enrichment
Seda Onder
09.20 - 09.40 S05-5 Innovative Biocatalysts as Tools to Detect and Inactivate Nerve Agents
Giuseppe Manco
09.40 - 10.00   Coffee break
10.00 - 12.10 S06 Stoichiometric bioscavanger, biotechnology and therapeutical aspects
Chair: Palmer Taylor
10.00 - 10.10   Commemoration of John Casida
Palmer Taylor
10.10 - 10.30 S06-1 Ionizable, Zwitterionic Oximes as Countermeasures to Volatile Organophosphate (OP) Exposure
Palmer Taylor
10.30 - 10.50 S06-2 Development of pre- and post-countermeasures against OP toxins in macaques
Yvonne Rosenberg
10.50 - 11.10 S06-3 Human Plasma-Derived Butyrylcholinesterase Is Behaviorally Safe and Effective in Cynomolgus Macaques (Macaca fascicularis) Challenged with Soman
Todd Myers
11.10 - 11.30 S06-4 Design of a combined aptamer for paraoxon and acetylcholinesterase by in silico approach
Daria Belinskaia
11.30 - 11.50 S06-5 Prokaryotic expression of human butyrylcholinesterase as a tool for catalytic bioscavenger development
Xavier Brazzolotto
11.50 - 12.10 S06-6 Bioscavengers and the medical management chain
Tom Mann
12.10 - 13.40   Lunch and posters
13.40 - 16.00 S07 Catalytical Bioscavangers - PON and PTE
Chair: Eugenio Vilanova, Florian Nachon
13.40 - 13.50   Commemoration of Doug Cerasoli
Tamara C. Otto
13.50 - 14.00 S07-1 Borderline between catalytic and non-catalytical bioscavengers: the example of albumin and reversible B-esterases
Eugenio Vilanova
14.00 - 14.20 S07-2 Catalytic Scavengers Provide Broad-Spectrum Protection against Organophosphorus Nerve Agents
Tamara Otto
14.20 - 14.40 S07-3 Paraoxonase 1 variant I-F11 gene therapy using adeno-associated virus8 (AAV8) offers long-term protection against G-type chemical warfare nerve agents
Nageswararao Chilukuri
14.40 - 15.00 S07-4 Phosphotriesterase (PTE) Designed as a Tethered Monomer
Stephen Kirby
15.00 - 15.20 S07-5 A new animal model to investigate organophosphorus poisoning and enzymatic decontamination
Laetitia Poirier
15.20 - 15.40 S07-6 Paraoxonase-2 dependent redox control of platelet physiology
Victoria Petermann
15.40 - 16.00 S07-7 Copper with chicken serum albumin show stereoselective hydrolysis of chiral phosphoramidates
Antonio Monroy
18.00   Walking tour around the city
20.00   Concert in the Cathedral of the Holy Spirit

Wednesday  12 September 2018
08.30 - 11.30 S08

3D section - structure and dynamics of α/β hydrolases and OP hydrolases,
in silico methods for designing of modulator

Chair: Zoran Radić, Jonah Cheung

08.30 - 08.55 S08-1 Insights into the Yin and the Yang of Acetylcholinesterase Inhibition by  Mechanistic X-Ray Crystallography
Doriano Lamba
08.55 - 09.20 S08-2 Photo-induced release of an acetylcholinesterase inhibitor
Eugenio de la Mora
09.20 - 09.45 S08-3 Structural studies of Anopheles gambiae acetylcholinesterase provide insight towards improved insecticides for malaria vector control
Jonah Cheung
09.45 - 10.05   Coffee break
10.05 - 10.30 S08-4 Room-temperature crystallography and neutron scattering studies of human acetylcholinesterase to inform the design of oxime reactivators
Andrey Kovalevsky
10.30 - 10.55 S08-5 Crystal structures of human cholinesterases in complex with supramolecular ligands
José Dias
10.55 - 11.20 S08-6 Modifications of Cholinesterase Structure and Function in Covalent Organophosphate Conjugates Visualized in 2D, 3D and VR
Zoran Radić
11.20 - 11.30   Concluding sentence
Zoran Radić
11.30 - 13.00   Lunch and posters
13.00   Trips

Thursday  13 September 2018
08.00 - 11.30 S09 Biological functions, development and non-cholinergic function
of cholinesterases

Chair: Shani Shenhar-Tsarfaty, Israel Silman
08.00 - 08.15   Commemoration of Eric Barnard
Israel Silman, Karl Tsim
08.15 - 08.35 S09-1 Cholinergic mechanisms at the core of skeletal and retinal histogenesis
Paul Layer
08.35 - 08.55 S09-2 Butyrylcholinesterase as a ghrelin modulator impacting anxiety, stress, obesity, and drug cravings
Stephen Brimijoin
08.55 - 09.15 S09-3 Assembly of PRiMA-linked form of acetylcholinesterase in neurons: the role of enzyme inhibitor acting as chemical chaperon
Karl Tsim
09.15 - 09.35 S09-4 Evolution of the first disulfide bond in the cholinesterase-carboxylesterase (COesterase) family: Possible consequences for cholinesterase expression in prokaryotes
Arnaud Chatonnet
09.35 - 09.55   Coffee break
09.55 - 10.15 S09-5 Acetylcholinesterase in neuromuscular synaptic clefts of vertebrates
Lili Anglister
10.15 - 10.35 S09-6 Respiration during organophosphate and carbamate intoxication when acetylcholinesterase is not anchored at cholinergic synapses
Eric Krejci
10.35 - 10.55 S09-7 Single nucleotide polymorphisms in the genes encoding AChE and its miR-608 regulator co-modulate anxiety and blood pressure
Alon Simchovitz
10.55 - 11.15 S09-8 Dioxin suppresses AChE expression in neuron and muscle
Heidi Xie
11.15 - 11.30 S09-9 Wnt3a induces the transcription of acetylcholinesterase: an enzyme playing a role in osteoblastic differentiation
Miranda Xu
11.30 - 12.30   Lunch and posters
12.30 - 14.45 S10 Alzheimer's disease and diseases related to cholinesterases
Chair: Ana Martinez, Maria-Laura Bolognesi
12.30 - 12.50 S10-1 Restoring mitochondria dysfunction and acetylcholine levels as a prospective therapeutic strategy for Alzheimer’s disease
Fernanda Borges
12.50 - 13.10 S10-2 From dual binding site AChE inhibitors to chameleon molecules: discovery of potent BuChE inhibitors
Ana Martinez
13.10 - 13.30 S10-3 Discovery and development of neuroprotective and disease-modifying anti-AD drug leads from the Chinese medicine
Yifan Han
13.30 - 13.50 S10-4 Fifty shades of cholinesterase immobilization and their application to drug discovery
Manuela Bartolini
13.50 - 14.10 S10-5 Serum cholinesterase activity and Alzheimer disease comorbidities - can bariatric surgery change your sympathetic prone state?
Shani Shenhar-Tsarfaty
14.10 - 14.30 S10-6 Indazolylketones: hit to lead optimization of a multitarget drugs
Nuria E. Campillo
14.30 - 14.45 S10-7 Butyrylcholinesterase genetic polymorphism and neuroimaging biomarkers in Alzheimer’s disease
Drew DeBay
14.45 - 15.10   Coffee break
15.10 - 17.40 S11 Multi-target-directed ligands in Alzheimer's disease primarily targeting cholinesterases
Chair: Maria-Laura Bolognesi, Ana Martinez
15.10 - 15.30 S11-1 Case studies for successful combination of ChE inhibitors and GPCR ligands (cannabinoid 2 and histamine 3 receptors)
Michael Decker
15.30 - 15.50 S11-2 From acetylcholinesterase inhibitors to multi-target-directed ligands (MTDLs): a step forward in Alzheimer's disease drug discovery
Maria-Laura Bolognesi
15.50 - 16.10 S11-3 From selective butyrylcholinesterase inhibitors to multi-target-directed ligands as lead compounds for Alzheimer’s disease
Stanislav Gobec
16.10 - 16.30 S11-4 Discovery and characterization of tacrine/huprine-tryptophan heterodimers as novel multipotent compounds against Alzheimer's disease
Jan Korabecny
16.30 - 16.50 S11-5 Novel conjugates based on γ-carbolines, carbazoles, phenothiazines, and aminoadamantanes as multifunctional agents for Alzheimer’s disease treatment
Galina Makhaeva
16.50 - 17.10 S11-6 Pleiotropic prodrugs: a novel polypharmacology approach to treat neurodegenerative diseases
Christophe Rochais
17.10 - 17.25 S11-7 Toward an innovative treatment of Alzheimer’s disease: Design of multi-target directed ligands (MTDLs) targeting acetylcholinesterase (AChE) and alpha-7 nicotinic receptors (alpha-7 nAChRs)
Mégane Pons
17.25 - 17.40 S11-8 Molecular modeling in search of new, multi-target ligands against Alzheimer´s disease
Jakub Jonzcyk
20.00   Gala dinner

Friday  14 September 2018
08.00 - 09.20 S12 Varia
Chair: Kamil Kuca, Ondrej Soukup
08.00 - 08.20 S12-1 Design of a butyrylcholinesterase mutant for detoxifying cocaine and its toxic metabolites in concurrent use of cocaine and alcohol
Fang Zheng
08.20 - 08.40 S12-2 7-Methoxyderivative of tacrine is a ‘foot-in-the-door’ blocker of GluN1/GluN2 and GluN1/GluN3 NMDA receptors
Martin Horak
08.40 - 09.00 S12-3 The Caenorhabditis elegans pharynx as a model system to investigate and mitigate against the effects of anti-cholinesterase drugs
Patricia Gonzalez
09.00 - 09.20 S12-4 Pharmacokinetics of bis-pyridinium mono-aldoximes
Huba Kalasz
09.20 - 09.30   Concluding remarks
10.00   Shuttle bus to Prague Airport