Lead optimization, drug discovery

Volume IV Optimizing the Drug-Like Properties of Leads in Drug Discovery... 

Chaubal, M. V. (2004). Application of formulation technologies in lead candidate selection and optimization. Drug Discovery Today, 9 603-609. 

Drug discovery and synthesis (five chapters) Hit discovery, lead optimization, drug synthesis... 

Volume IV Optimizing the Drug-Like Properties of Leads in Drug Discovery R.T. Borchardt, E.H. Kerns, M.J. Hageman, D.R. Thakker, J.L. Stevens... 

Hochman J, Mei Q, Yamazaki M, Tang C, Prueksaritanont T, Bock M, Ha S and Lin J (2007) Role of mechanistic transport studies in lead optimization, editors Borchardt RT, Kerns EH, Hageman MJ, Thakker DR and Stevens JL, In Optimizing the Drug-Like Properties of Leads in Drug Discovery, Springer, New York. 

Cheng KC, Korfmacher W, White RE, Njoroge FG. Lead optimization in discovery drug metabolism and pharmacokinetics/case study The hepatitis C virus (HCV) protease inhibitor SCH 503034. Perspect Med Chem 2007 1(1) 1—9. 

Ferenczy, G.G. and Keseru, G.M. (2010) Thermodynamics guided lead discovery and optimization. Drug Discovery Today, 15(21-22), 919-932. 

Lead Optimization in Discovery Drug Metabolism and Pharmacokinetics/Case Study The Hepatitis C Virus (HCV) Protease Inhibitor SCH... 

Chemoinformati.cs is involved in the drug discovery process in both the lead finding and lead optimization steps. Artificial neural networks can play a decisive role of various stages in this process cf. Section 10.4.7.1). 

Chemoinformatics is primarily used for the steps of lead finding and lead optimization within the drug discovery process. In particular the following tasks are involved ... 

One early step in the workflow of the medicinal chemist is to computationally search for similar compounds to known actives that are either available in internal inventory or commercially available somewhere in the world, that is, to perform similarity and substructure searches on the worldwide databases of available compounds. It is in the interest of all drug discovery programs to develop a formal process to search for such compounds and place them into the bioassays for both lead generation and analog-based lead optimization. To this end, various similarity search algorithms (both 2D and 3D) should be implemented and delivered directly to the medicinal chemist. These algorithms often prove complementary to each other in terms of the chemical diversity of the resulted compounds [8]. 

Faller, B., Wohnsland, F. Physicochemical parameters as tools in drug discovery and lead optimization. 

Kessler, H., Klages, J. Lead search and optimization NMR in drug discovery. 

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