In this multi-parameter optimisation review, we survey the range of methods used for MPO in drug discovery, compare their strengths and weaknesses and present some example applications.
To be successful as a drug, a compound must have a delicate balance of properties, from potency to metabolic stability and other ADME properties. These properties can sometimes require conflicting molecular structures, and achieving balance is a difficult task. To optimise across all factors, a drug hunter needs to use ‘multi-parameter optimisation’ (MPO).
This review discusses the various rules and methods which can be used towards the goal of multi-parameter optimisation in drug discovery. It also touches upon practical applications of these methods to improve the efficiency and productivity of drug discovery.
M. D. Segall, Curr. Pharm. Des., 2012, 18(9) pp. 1292-1310
Find out more
Visit the journal webpage to read this multi-parameter optimisation review. Alternatively, for further information, check out our webinar on multi-parameter optimisation in practise.
INTERESTED IN DRUG OPTIMIZATION?
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the drug optimisation and discovery process.