The Laboratory Robotics Interest Group
Mid Atlantic Chapter
September 2007 Meeting
ADMET and Lead Optimization
Date: Thursday, September 20, 2007
Place:
Somerset Plaza Hotel,
110 Davidson Avenue, Somerset NJ 08873
Phone:
1-800-238-3198
Itinerary: Social Period: 5:00 to 6:00 pm
Presentations: 6:00 to 9:00 PM
Registration: We have an on-line registration service at <http://lab-robotics.org/member/meetings.asp?rid=1>.
Agenda: The
pharmacological basis of therapeutics is comprised of two overarching scientific
disciplines: pharmacodynamics and pharmacokinetics. It is often summarily
stated: “pharmacodynamics is the study of what a drug does to the body; whereas
pharmacokinetics is the study of what the body does to a drug”. The latter
studies the absorption, distribution, metabolism, excretion and toxicology (ADMET)
of xenobiotics (i.e., drugs). We are pleased to present four experts in the
Field who will each present a facet of Lead Optimization and ADMET involving
real time visualization of drug efficacy and metabolism; how more established
methodologies have been optimized through process automation; integration of
ADMET into the Pharma R&D continuum; and knowledge-based approaches that
facilitate lead optimization.
Food and refreshments will be available FREE OF CHARGE
during the Social Period.
There
is always a Job posting board at the social. Please encourage your
recruitors to give you material to post and distribute.
Openings may be also posted at
http://lab-robotics.org/forum/default.asp?CAT_ID=2
There is no fee to attend the meeting.
Presentation: ADME/TOX in Drug Discovery: Assay Design and Case
Studies
Dr. Li Di, Wyeth Research, Princeton, NJ
ADME/TOX profiling is an
integrated part of modern drug discovery. Property information, in many cases,
is equally as important as biological activity. Advanced technologies, such as
high throughput robotic liquid handlers, plate readers and high-speed LC-MS-MS
systems greatly improve the throughput, speed and turnaround time of ADME/TOX
assays. Assay design is critical in order to generate high quality and relevant
data. Implementation strategies are critical for the success of an ADME/TOX
program. Case studies on how ADME/TOX assays impact discovery programs will be
discussed.
Click here for a PDF of above
presentation
Presentation: The
Discovery Bus and Automated QSPR – Maximising the potential of automated
knowledge discovery.
Dr. John Cartmell, Cyprotex
The Discovery Bus software had
been developed by Cyprotex in support of predictive ADME. It has been developed
to support generalisation from experimental data and the construction of QSPR
models. The talk will be an outline of the discovery bus software and introduce
the principles that lie behind it, particularly the concept of competitive
workflow.
There are two issues which need to
be separated (i) if it could be achieved, would it be an advantage to automate
QSPR and to integrate it into the drug discovery company’s work processes and
systems (ii) how can this be practically achieved in a scientific community
where techniques and tools are rapidly evolving and where proof (validation) is
partial and in environments where individual scientists have preferences in
terms of methods and tools for knowledge discovery. The Discovery Bus is
designed to address the latter issue not the former. It makes something
practically possible that wasn’t before. It does this in a novel way which
positively encourages change – the deployment of new tools and their evaluation
(competitive workflow) – and which is inclusive rather than exclusive. It
automates knowledge discovery, QSPR in particular, and does so in a way that
maximises its potential.
Presentation:
Knowledge-Based Lead Discovery and Design
Dr. Zhengming Chen and Dr. Anne Tobak, DOV Pharmaceutical, Inc.
Among the strategies that can lead
to the discovery of new drugs, knowledge-based lead discovery has been utilized
frequently, in an attempt to find new drugs in a shorter time with respect to
other strategies. Knowledge-based lead discovery strategy includes the
identification and use of privileged structures, pharmacophore elucidation and
modeling, and analog research from known ligands and drugs. This presentation
will cover the practice of knowledge based drug discovery strategy, i.e., the
structure-target relationships, the privileged structures for certain target
family and application of analog research, pharmacophore modeling in DOV's drug
discovery program.
Click here for a PDF of above
presentation
Presentation:
Non-invasive Visible Light Imaging: extension of DMPK?
Dr. Peter Lassota, Divisional Vice President, Imaging Biology & Oncology,
Caliper Life Sciences
Pre-clinical DMPK data are
collected for many compounds before a clinical candidate is selected in a given
program. While we measure the levels of the administered compound in different
tissues at different time points after the compound administration, we are not
really interested in the concentrations of the compound per se. What we try to
accomplish instead, is to predict the pharmacodynamics (i.e. interactions of the
compound with the host) based on the pharmacokinetic data. Those predictions may
not be accurate due to various reasons like sequestration of the compound in
various cell compartments, disconnect between the plasma and tissue levels,
speed of propagation of signals through the pathways, compensatory feedback
mechanisms, etc. Thus it is important to attempt to measure the pharmacodynamic
effects directly, if possible. The Non-invasive Visible Light Imaging offers us
the opportunity to do that. Moreover, properly designed reporter assays can
provide continuity of the pharmacodynamic readouts from cells to animal studies.
Examples of such reporters will be presented and discussed.
Click here for a PDF of
above presentation
Directions
From Newark - EWR 28.0 mi
Take NJ Turnpike South to Exit 10- I-287 North to Exit 10
(Easton Ave) to first light, go left on Davidson Ave. Hotel
immediately on left.
From New York/La Guardia - LGA 50.1 mi SW
After exiting Airport on LA Guardia Road, merge onto Grand
Central Pkwy W. Take Exit 4 for Bkln-Qns Expy to Staten
Island, then merge to Brooklyn-Queens Expy E. Continue and
exit to I-278 W, take exit 5 to merge to Pearl Harbor Expy (Rt
440) South. Take Rt 440 S to Outerbridge Crossing/Perth
Amboy/Exit1. Continue on I-287 N. Take Exit 10 (East
Ave/CR-527), keep right to CR 527 N/Easton Ave. Lefton
Easton, then left again on Davidson Ave.
On-line directions may be found at:
http://www.somersetplazahotel.com/map.asp
Menu
Deli Wraps
Mixed Field Greens with Cucumbers, Tomatoes, Black Olives, and Sliced Red
Onions
with a choice of dressings
Cucumber Salad, Red Skin Potato Salad, and Freshly Made Pasta Salad
Veggie Wrap Grilled Portabella Mushrooms, Green and
Yellow Zucchini Squash, Diced Peppers and Onions in Balsamic Vinegar Marinade
Chef’s Specialty Wrap of Shredded Sirloin of Beef, Cheddar Cheese,
Caramelized Onions, with a Creamed Horseradish Sauce
Reuben Wrap, Freshly Baked Corned Beef, Swiss cheese, Sauerkraut, with a
Thousand Island Dressing
The Jersey Pizza Kitchen
Garlic Bread, Breadsticks, Flatbreads and Assorted Rolls
Chicken Caesar Salad
Italian Sub Sandwiches
Assorted Pizza Selections
Chef’s Hot Pasta Creation
Chef’s Specialty Pastries and Cookies
(Cheesecake, Ice Cream and Éclairs, Chocolate Mousse, etc)
Assorted Diet and Regular Soft Drinks
Poland Spring Water
Freshly Brewed Columbian Coffee Decaffeinated Coffee and Herbal Teas
Visit The Laboratory Robotics
Interest Group homepage at http://lab-robotics.org
