Abstract
A thorough analysis of recent trends in medicinal chemistry and evaluation of
their significance for advancing productivity in drug discovery is presented.
This report includes:
- A critical evaluation of chemical and computational technological
modalities, their current and potential value, and their commercial
manifestations.
- A consideration of market dynamics with an emphasis on outsourcing and
user views on the implications of current practices in drug discovery
organizations.
- Insights gleaned from an extensive literature review, discussions with
industry experts, and an opinion survey of personnel active in medicinal
chemistry for drug discovery.
- Medicinal Chemistry for Drug Discovery: Significance of Recent Trends
reviews the state of the art and aims to determine the significance of
technology and market trends in medicinal chemistry for advancing productivity
in drug discovery. Although the fundamental task of medicinal chemists has not
changed drastically over time, the chemical and computational tools and
perspectives at their disposal have advanced significantly. One in particular,
fragment-based drug design, stands out as promising major improvements in
research productivity.
We examine medicinal chemistry-related approaches and methodologies that drug
discovery organizations employ in an effort to increase productivity in early
drug discovery and decrease attrition at later pipeline stages. Key topics
considered include structure-based drug design, fragment-based drug design,
natural products-based drug design, diversity-oriented synthesis, and
chemogenomics. An overall assessment of the current and potential value of
these approaches is presented. Various flavors of computer-aided drug design
are also considered, as the complexity and limitations of drug discovery
programs that are based on biochemical screens of large compound collections
have been major factors in stimulating the growth of this modality.
Each of the aforementioned technological modalities is viewed in terms of
practical examples and commercial activity. Outsourcing arises as a prominent
theme in the applications realm, with special emphasis on companies with
primary operations in countries with developing economies, notably China,
India, and Russia. Among 32 companies considered, structure-based drug design
is the most prevalent activity with most players emphasizing the
fragment-based variation. Virtual screening is the second-most prevalent
modality, whereas natural products, diversity-oriented synthesis, and
chemogenomics appear in only a small minority of cases.
Outsourcing vendors are viewed according to participation in hit discovery,
hit-to-lead synthesis, lead optimization, library synthesis, in-house drug
discovery, and virtual drug design. More than one-third of the companies
considered have operations primarily located in countries with emerging
economies. A large majority of companies offer computer-based services,
hit-to-lead, lead optimization, and library synthesis. Fewer engage in hit
discovery, and a small minority do their own drug discovery.
Medicinal Chemistry for Drug Discovery: Significance of Recent Trends next
examines deal activity and the influence of outsourcing on research
productivity. Results from a survey of managers and researchers active in the
field provide a multifaceted picture of practices and attitudes prevalent in
drug discovery organizations today. Conclusions from the user survey highlight
which modalities are viewed as having greater potential to make an impact on
productivity. Finally, the complete transcripts of seven interviews with
experts in the field are provided.
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