Lead optimisation
The Medicinal Chemistry team at O2H will design and implement their effective hit to lead and lead optimisation strategies to generate the high value drug candidates. This service can include a variety of following activities depending upon the needs of the programme.
O2H have sufficient expertise and resource to run a full scale medicinal chemistry effort for lead generation, lead identification and lead optimization. We could develop SAR data around the lead molecules to identify the potential chemical space available for optimisation and monitor the availability of chemical space which can be protected through patents. O2H could establish the cut-offs for various screens based on a thorough understanding of the proposed therapeutic applications and develop a model for the interaction of the lead series with its protein target, incorporating into the model any structural information on the target. This model is then used in conjunction with the developing SAR.
Use of calculated physicochemical parameters into the design of arrays is a routine practice at O2H. However, we also experimentally determine the physico-chemical properties for validating the calculated values. The randomly selected molecules will be run for the experimental log P, log D, pKa etc. in order to monitor the drugability aspects of newly synthesised molecules. A key advance of modern drug discovery is the ability to incorporate ADMET profiling of compounds into the optimisation stage of lead development. O2H is well versed in the application of these principles and can access validated service providers capable of generating such information on key compounds. O2H has identified outsourcing partners for the initial in-vitro screening, selectivity screens, ADMET screens and safety and metabolism issues.
