Essential Reading for Medicinal Chemists

Drug Prototypes and Their Exploitation by Walter Sneader, John Wiley & Sons Ltd, ISBN-10: 0471948470
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings, Lipinski et al., Advanced Drug Delivery Reviews Volume 23, Issues 1-3, 15 January 1997, Pages 3-25
Drugs, Leads, and Drug-Likeness: An analysis of some recently launched drugs, Proudfoot, Bioorganic & Medicinal Chemistry Letters Volume 12, Issue 12, 17 June 2002, Pages 1647-1650
Is There a Difference between Leads and Drugs? A Historical Perspective, Oprea, J. Chem. Inf. Comput. Sci. 2001, 41, 1308-1315 DOI: 10.1021/ci010366a
A Comparison of Physicochemical Property Profiles of Development and Marketed Oral Drugs, Wenlock, Journal of Medicinal Chemistry 2003 1250
Derivation and validation of toxicophores for mutagenicity prediction Kazius Jeroen; McGuire Ross; Bursi Roberta. Journal of Medicinal Chemistry (2005), 48(1), 312-20
Molecular Properties That Influence the Oral Bioavailability of Drug Candidates, Veber, Journal of Medicinal Chemistry 2002 2615,
Influence of Molecular Flexibility and Polar Surface Area Metrics on Oral Bioavailability in the Rat, Burton, Journal of Medicinal Chemistry 2004 6104,
Features of Selective Kinase Inhibitors, Shokat, Chemistry & Biology,Volume 12, Issue 6,Pages 621-637
Structure-Brain Exposure Relationships, Hitchcock, Journal of Medicinal Chemistry 2006 7559,
ADME/PK as part of a rational approach to drug discovery, Eddershaw, Drug Discovery Today Volume 5, Issue 9, 1 September 2000, Pages 409-414
A structural basis for drug-induced long QT syndrome, Mitcheson, PNAS 97, 12329 (2000)
Medicinal Chemistry of hERG Optimizations: Highlights and Hang-Ups, Jamieson, Journal of Medicinal Chemistry, 2006, 5029,
Ligand efficiency indices as guideposts for drug discovery, Abad-Zapatero, Drug Discovery Today Volume 10, Issue 7, 1 April 2005, Pages 464-46
Defining and maintaining a high quality screening collection: the GSK experience, Lane, Drug Discovery Today Volume 11, Issues 5-6, March 2006, Pages 267-272
A Bioavailability Score, Martin, Journal of Medicinal Chemistry 2005 3164
The role of medicinal chemists in drug discovery, Greenlee WJ, Desai MC; Curr Opin Drug Discov Devel. 2005 Jul;8(4):419-20
Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs, Vieth, Journal of Medicinal Chemistry, 2006, 3541,
Salt Selection and Optimisation Procedures for Pharmaceutical New Chemical Entities,
Bastin, J. Org. Process Res. Dev.; (Technical Note); 2000; 4(5); 427-435.
The Identification of Toxicophores for the Prediction Mutagenicity, Hepatotoxicity and Cardiotoxicity, Hakimelahi, http://www.ics-ir.org/jics/vol2/n4/articles/jicsv2n4r1.
Developing early formulations: Practice and perspective, International Journal of Pharmaceutics 341 (2007) 1–19
Cyprotex ADME Guide: An excellent guide to understanding and interpreting ADME assays and results, available on request from the Cyprotex home page.
A Medicinal Chemist’s Guide to Molecular Interactions. Bissantz, Kuhn, Stalh J Med Chem http://pubs.acs.org/doi/abs/10.1021/jm100112j
Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design DOI dx.doi.org/10.1021/jm1013693
Broad Coverage of Commercially Available Lead-like Screening Space with Fewer than 350,000 Compounds, Jonathan Baell DOI
Metal Impurities Cause False Positives in High-Throughput Screening Campaigns, Johannes C. Hermann et al DOI Irreversible Inhibitors of Serine, Cysteine, and Threonine Proteases, Chemical Reviews, 2002, Vol. 102, No. 12 p 4369 DOI.
Proteome-wide covalent ligand discovery in native biological systems, Nature, 2016, Vol. 534, p 570 DOI
Covalent Modifiers: A Chemical Perspective on the Reactivity of α,β- Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions, DOI Structure-based design of targeted covalent inhibitors. DOI.

Updated 12 April 2018