Classics in Medicinal Chemistry

I wanted to summarize the excellent discussion we had a few weeks back on classic papers in medicinal chemistry. Hopefully this serves as a good place for new scientists in the field to start to learn their craft and will stimulate further discussion. Thanks for all your help and keep suggesting new papers!

1) A Medicinal Chemist’s Guide to Molecular Interactions

https://pubs.acs.org/doi/abs/10.1021/jm100112j

2) Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

https://pubs.acs.org/doi/abs/10.1021/jm020017n

3) Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity

https://csmres.co.uk/cs.public.upd/article-downloads/Getting-Physical-II.pdf

4) Nature Reviews - Drug Discovery on plasma protein binding (Matthew Cheeseman)

https://www.nature.com/articles/nrd3287

5) "A systematic analysis of atomic protein-ligand interactions in the PDB" (Huang Huang)

https://pubs.rsc.org/en/content/articlelanding/2017/md/c7md00381a#!divAbstract

6) Predicting and Tuning Physicochemical Properties in LeadOptimization: Amine Basicities (Gilles Ouvry)

https://onlinelibrary.wiley.com/doi/abs/10.1002/cmdc.200700059

7) Improvement in Aqueous Solubility in Small Molecule Drug Discovery Programs by Disruption of Molecular Planarity and Symmetry (Ben Bellenie)

https://pubs.acs.org/doi/abs/10.1021/jm101356p

8) Promiscuity and Selectivity in Covalent Enzyme Inhibition: A Systematic Study of Electrophilic Fragments (Ben Bellenie)

https://pubs.acs.org/doi/abs/10.1021/jm5006918

9) Demystifying Brain Penetration in Central Nervous System Drug Discovery (Ben Bellenie)

https://pubs.acs.org/doi/abs/10.1021/jm301297f

10) Generation of a Set of Simple, Interpretable ADMET Rules of Thumb (Laurent Knerr)

https://pubs.acs.org/doi/abs/10.1021/jm701122q

11) Medicinal Chemistry by the Numbers: The Physicochemistry, Thermodynamics and Kinetics of Modern Drug Design (Laurent Knerr)

https://www.sciencedirect.com/science/article/pii/S0079646809048012

12) Visualizing the drug target landscape (Gregory Qushair)

https://www.ncbi.nlm.nih.gov/pubmed/19840866