Drug discovery and development

Kubinyi H1998. Structure-based Design of Enzyme Inhibitors and Receptor Ligands. Current Opinion i. Drug Discovery and Development 1 5-15. 

FIGURE 8.1 Schematic diagram of four interactive but separate stages of drug discovery and development. 

Lipinski, C., Lombardo, F., Dominy, B., and Feeney, P. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug. Deliv. Rev. 23 3—25. 

FIGURE 9.1 Histograms show the number of new drugs (normalized for the cost of drug discovery and development in the years they were developed) as a function of the years they were discovered and developed. Adapted from [1]. 

Figure 3.2 Modern drug discovery and development processes.

Patel, R.N. (2006) Current Opinion in Drug Discovery and Development, 9, 741. 

Scheme 1 The path of least resistance in HCV drug discovery and development...

As the twentieth century came to a close, the job market for computational chemists had recovered from the 1992-1994 debacle. In fact, demand for computational chemists leaped to new highs each year in the second half of the 1990s [135]. Most of the new jobs were in industry, and most of these industrial jobs were at pharmaceutical or biopharmaceutical companies. As we noted at the beginning of this chapter, in 1960 there were essentially no computational chemists in industry. But 40 years later, perhaps well over half of all computational chemists were working in pharmaceutical laboratories. The outlook for computational chemistry is therefore very much linked to the health of the pharmaceutical industry itself. Forces that adversely affect pharmaceutical companies will have a negative effect on the scientists who work there as well as at auxiliary companies such as software vendors that develop programs and databases for use in drug discovery and development. 

Scott RK. Assessing the impact of high-performance computing on the drug discovery and development process. Drug Discovery Today 2004 2 175-9. 

Record keeping is a fundamental requirement for any serious research activity, and of course drug discovery and development is no different. In the case of drug discovery, there are a number of convergent requirements for keeping good scientific records ... 

Dickson M, Gagnon JP. Key factors in the rising cost of new drug discovery and development. Nat Rev Drug Discov 2004 3 417-29. 

To make sense of large, complex, and conflicting data sets, humans have used mental models. Mental models for drug discovery and development have made manifest contributions. However, humans, even the brightest, can... 

TYPES OF MODELS USED IN DRUG DISCOVERY AND DEVELOPMENT... 

Lipinski, C.A., Lombardo, F., Dominey, B.W., Feeney, P.J. (1997) Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Advances in Drug Delivery Review, 46, 3-26. 

Molecular structure and properties are key concepts in drug design, but they may not mean the same to all medicinal chemists, not to mention other researchers involved in drug discovery and development such as biochemists, pharmacologists and toxicologists (see Chapter 2). It is therefore the merit of this book to offer a rationalization of these concepts with a view to advocating their value and clarifying their use. 

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