BioNMR - still aggressively waiting to take off.

I continue to be astounded about how many rings there are to choose from for drug design and how many haven't been made yet.

Don't forget that water often likes to sit on top of pi systems (part of last week's lecture).

Tonight we'll be getting in to how to build drugs (and of course McConnell's Rule of Two).

What to do with waters in drug discovery is one of the most important decisions that drug designers need to make. What would you do with the FLAP water on HIV protease? Address or Replace?

Here's the pic

Here's the Six Classes of Molecular Interactions for designing drugs and their frequencies in protein-ligand complexes. They are all very useful in drug design (except perhaps the last one). I'll post a few slides from my Medchem Uni course for each interaction over the coming days/weeks.

For some reason in medicinal chemistry we like to use weight (Daltons) as a measure for atomic and molecular size. The picture below shows why this is hugely misleading for halogens and hydrogen.