How to find a starting point to identify new chemistry

Question 1

Knowledge based approach

Answer 1

• Identify compounds similar to existing molecules that interact with the target
• Requires pre-clinical compound structure of sufficient quality

Question 2

High throughput screen

Answer 2

• Assay methodology which allows large numbers of compounds to be screened against a target

Question 3

Fragment based lead generation

Answer 3

• Fragments are small and have low molecular weight
• Easier to identify chemical starting points and optimise them towards drug like leads
• Need proteins and binding assays

Question 4

Virtual screen/AI

Answer 4

• Predicting and calculating - Adding to existing knowledge

* Can be combined with other approaches

Question 5

DNA encoded libraries

Answer 5

• Cpds (existing knowledge) tagged with short DNA fragments that act as bar codes
• This library is combined with a biological target to identify binders
• The DNA on each cpd is amplified and sequenced