Improving Drug Candidates By Design: Physicochemical Properties and Compound Success
This course will summarize the background studies that have compared the physical properties of marketed drug with less successful compounds and have led to the identification of problematic structural and functional elements and less than optimal physicochemical properties.
- Physical properties of candidate drugs and durability in development.
- Applications of the algorithms ligand efficiency (LE), lipophilic ligand efficiency (LLE), lipophilic ligand efficiencyAT, (LLEAT) and ligand efficiency-dependent lipophilicity (LELP) that can be applied at the drug design stage to assess compound quality
The development of small molecule drug candidates from the discovery phase to a marketed product presents significant challenges with overall rates of success that have remained persistently low. As part of an attempt to understand this phenomenon more deeply, attention has been focused on analyzing the physicochemical properties of contemporary drug molecules in comparison to marketed drugs. The data suggest that modern drug design practices have become too dependent on highly lipophilic, high molecular weight molecules that rely heavily on aromatic scaffolds and appendages for potency and which express limited three dimensionality compared to marketed drugs. This course will summarize the background studies that have compared the physical properties of marketed drug with less successful compounds and have led to the identification of problematic structural and functional elements and less than optimal physicochemical properties. This will be followed by a synopsis of the algorithms ligand efficiency (LE), lipophilic ligand efficiency (LLE), lipophilic ligand efficiencyAT, (LLEAT) and ligand efficiency-dependent lipophilicity (LELP) that have been developed to assess drug-target interactions and drug candidate quality as part of the effort to maximize potency while minimizing the kind of lipophilicity that manifests as molecular obesity. Representative examples of the practical application of these tools taken from the recent literature will be provided followed by a discussion of some of the developing thoughts around working in non-drug like space.
Who Should Attend
These courses will appeal to practicing medicinal chemists at all stages of their careers, at both the PhD and BS/MS levels.
The course attendees will learn how to assess and apply physical properties metrics to the drug design process. The courses will be of value to medicinal chemists in any area of drug discovery.
Check-in opens at 11:30 a.m. on the day of the course.
Course runs from 1:00 p.m. to 5:00 p.m. each day.Register Via Mail
Five for Four! Register five people for one course, one person for five courses, or any combination in between and your fifth registration is free. Note: This discount is only available if you register by fax or mail and mention this discount. May not be combined with any other offer.
About the Instructor
Nicholas A. Meanwell
is Executive Director of Discovery Chemistry at Bristol-Myers Squibb Research and Development and a co-chair of the Tactical Approaches to the Challenge of Drug Failure ACS ProSpectives Conference.