K4DD Meeting - Binding kinetics: Time is of the essence

Monday, October 16, 2017

Day/time Theme Speakers
12:00 - 16:00 Internal K4DD meeting  
16:00 - 17:00 Arrival and registration   
17:00 - 18:00 Opening and Keynote lecture 
Session Chair: Anke Mueller-Fahrnow, Ad IJzerman
Binding kinetics: back to the future of analytical pharmacology in drug discovery and development
Piet van der Graaf, Certara QSP (UK) & Leiden University 
18:00 - 21:00 Poster session and buffet diner
Session Chair: K4DD Fellows, Steve Hill
To be selected from abstracts

 


Tuesday, October 17, 2017

Day/time Theme
08:45 - 10:30 Target binding kinetics in the PKPD context
   08:45 - 09:10 Advancing the approaches of measuring, modeling and predicting in vivo receptor occupancy in brain
Eric Wong, Leiden University
   09:10 - 09:35 Impact of micro-PK and micro-PD mechanisms on in vivo target occupancy profiles
Georges Vauquelin, Vrije Universiteit Brussel
   09:35 - 10:00 Drug-target binding kinetics and kinetic target or tissue selectivity
Wilbert de Witte, Leiden University
   10:00 - 10:25 Elucidating receptor binding kinetics by mathematical modelling and simulation: from molecular dynamics to systems biology
Susanna Röblitz, ZIB
10:30 - 11:00 Break
11:00 – 12:45 Kinetic assay development: in vitro assays
   11:00 - 11:25 Tag-lite, a powerful non-radioactive platform for kinetic binding 
Thomas Roux, Cisbio
   11:25 - 11:50 Radioligand binding assays for kinetic measurements: experimental strategies and mathematical modeling
Dong Guo, Xuzhou Medical University
   11:50 - 12:15 Detection of ligand binding kinetic peculiarities with fluorescence anisotropy based assays
Ago Rinken, University of Tartu
   12:15 - 12:40 Fluorescence Correlation Spectroscopy based approaches to measure binding kinetics and time resolved target occupancy
Stefan Hannus, Intana Bioscience
12:45 - 14:00 Lunch
14:00 – 15:45 Molecular mechanisms: soluble proteins
   14:00 - 14:25 Improving the prediction of in vivo Drug Activity
Peter Tonge, Stony Brook University 
   14:25 - 14:50 Correlation of Kinase Inhibition Modalities and Binding Kinetics: Facts or Fantasy?
Gerhard Mueller, Mercachem 
   14:50 - 15:15 Halogen-aromatic π interactions modulate inhibitor residence time
Stefan Knapp, Goethe-Universität
15:15 - 15:40 Targeting the R-Spine: Design, Synthesis and Biological Evaluation of Novel Type I½ p38α MAP Kinase Inhibitors with Excellent Selectivity, High Potency and Prolonged Target Residence Time
Stefan Laufer, University of Tubingen
15:45 - 16:15 Break
16:15 – 18:00 Molecular mechanisms: membrane proteins
16:15 - 16:40 Sustained signalling of GPCR agonists: A role for binding kinetics?
Phil Rawlins, AstraZeneca 
16:40 - 17:05 Kinetics for drug discovery – A case for endogenous agonists and synthetic antagonists at the cannabinoid 1 and 2 receptors
Laura Heitman, Leiden University 
17:05 - 17:30 "Micro-pharmacokinetics”: How local drug concentration influences observed binding kinetics
Steven Charlton, University of Nottingham 
     17:30 - 17:55 Building a complete picture: kinetics, thermodynamics and structural determination of stabilised G protein-coupled receptors
Elena Segala, Heptares

 


Wednesday, October 18, 2017

Day/time        Theme
08:30 - 10:15 Kinetic assay development: biophysical methods
08:30 - 08:55 Elucidation of the kinetic details of molecular interactions using SPR biosensor analysis
Helena Danielson, Uppsala University 
08:55 - 09:20 Drug Discovery at the Single Molecule Level: Opportunities of Next-generation Biosensing in Drug Discovery.
Tim Kaminski, AstraZeneca 
09:20 - 09:45 TR-FRET competition assays for high throughput profiling of drug-target binding kinetics
Victoria Georgi, Bayer 
09:45 - 10:10 Lessons from the study of receptor binding kinetics using fluorescent ligands
Leigh Stoddart, University of Nottingham 
10:15 - 10:45 Break
10:45 - 12:15 Computational approaches, informatics (K4DD database)
10:45 - 11:05 From structural understanding to chemical modulation of receptor binding kinetics
Chris de Graaf, VU Amsterdam 
11:05 - 11:25 Predicting drug residence time - mission impossible?
Gerhard Ecker, University of Vienna 
11:25 - 11:45 Multiscale estimation of Drug binding kinetics 
Rommie Amaro, UC San Diego 
11:45 - 11:05 Revealing molecular determinants of drug-receptor binding kinetics through atomic-level simulation
Ron Dror, Stanford University 
12:15 - 13:15 Lunch
13:15 - 15:00 The drug discovery pipeline: binding kinetics
13:15 - 13:40 Ligand Residence Time: a new parameter to predict neurosteroidogenic efficacy and anxiolytic potential of 18 kDa TSPO ligands
Barbara Costa, EPFL
13:40 - 14:05 Using binding kinetics to identify differentiated clinical candidates
Dave Swinney, iRND3 
14:05 - 14:30 Drug target residence time in the early drug discovery phase: the right time for kinetics
Matthias Frech, Merck 
14:30 - 14:55 Acalabrutinib (ACP-196): A covalent Bruton tyrosine kinase (BTK) inhibitor with a
differentiated profile
Tjeerd Barf, Acerta
15:00 - 15:15 K4DD: lessons learnt, sustainability

 

 


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