New HTS Approaches

HTS is facing new challenges and needs to adopt new approaches to improve its efficiency and predictability during early lead identification and the drug discovery process. Therefore, the quality of HTS assays needs to continually improve. 

The selection and quality of a screening library with drug-like and lead-like structures is a critical endeavour. The features of drug-like and lead-like structures continue to be better defined, at the same time as the diversity of drug-like and lead-like molecular space continues to be explored and categorised. Other areas of development focus on the discovery of small molecules suitable for modulating protein-protein interactions, with a greater focus on natural product-like compounds. 

Combination of Potency Screening with Early ADME/Tox Testing 

The hits from potency-based screens should be evaluated, as early as possible, with a set of profiling (or selectivity) assays and toxicology testing from early 

ADME/Tox (adsorption, distribution, metabolism and excretion/toxicology). Such characterisation will allow prioritisation of HTS hits and thus, enhance the chance of focusing on the chemotypes that may have a lower attrition rate in the later stage of development. 

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