Knowledge-Driven Lead Discovery

Pirard, Bernard

doi:10.2174/138955705774575237

Cited by 7 publications

(2 citation statements)

References 72 publications

(89 reference statements)

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“…Target sequences can be altered in a directed way, and the interaction of the resulting mutant proteins with compounds can be assessed in assays or via three-dimensional structure determination [12]. This information helps to optimize drug design and has been used to support alternative approaches to highthroughput compound screening, such as compound class subset screening and 'in silico' compound screening, where active compounds have been successfully identified without actually running a physical screen [13].…”

Section: Molecular Screens To Find New Candidate Drugsmentioning

confidence: 99%

The impact of molecular biology on drug discovery

Belfield¹,

Delaney²

2006

Biochem. Soc. Trans

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The discipline of molecular biology has become increasingly important in recent times for the process of drug discovery. We describe the impact of molecular biology across the whole process of drug discovery and development, including (i) the identification and validation of new drug targets, (ii) the development of molecular screens to find new candidate drugs, and (iii) the generation of safety data and competences leading to enhanced clinical efficacy. We also speculate on emerging developments in drug discovery where it seems likely that molecular biology will play an even more vital role in the generation of future therapies.

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Section: Molecular Screens To Find New Candidate Drugsmentioning

confidence: 99%

The impact of molecular biology on drug discovery

Belfield¹,

Delaney²

2006

Biochem. Soc. Trans

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“…This approach is largely complementary to HTS as a technique that aids the hit-to-lead or lead discovery processes [3]. The technologies that have played a major role in driving the development of fragment discovery are NMR spectroscopy [4][5][6], X-ray crystallography [7][8][9][10][11], mass spectrometry [12] as well as in silico approaches like virtual screening [13][14][15][16], and more recently ITC experiments [17]. These methods are also sometimes used in a synergistic approach, for example combining NMR-based screening with X-ray structure determination *Address correspondence to this author at the Pfizer Global Research and Development, Sandwich Laboratories, Ramsgate Road, Sandwich, Kent CT13 9NJ, United Kingdom; E-mail: alexander.alex@pfizer.com [18].…”

Section: Introductionmentioning

confidence: 99%

Fragment-Based Drug Discovery: What has it Achieved so Far?

Alex

Flocco

2007

CTMC

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Fragment-based drug discovery has proved to be a very useful approach particularly in the hit-to-lead process, providing a complementary tool to traditional high-throughput screening. Although often synonymous with fragment screening, fragment-based drug discovery is a far wider area covering high-throughput screening, fragment screening and virtual screening efforts. The unifying feature of fragment-based drug discovery is the low molecular weight of the hit rather than the approach it originates from. Over the last ten years, fragment-based drug discovery has provided in excess of 50 examples of small molecule hits that have been successfully advanced to leads and therefore resulted in useful substrate for drug discovery programs. To our knowledge, there are currently no marketed drugs that can be attributed to these efforts. However, due to the time scales of drug discovery and development it is likely that over the next few years the number of such examples will increase significantly.

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Overview: Differentiating Issues in the Development of Macromolecules Compared with Small Molecules

Blaich¹,

Janssen²,

Roth³

et al. 2010

Pharmaceutical Sciences Encyclopedia

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The fundamental overall structural differences dictate unique approaches for discovery and development of small‐molecule and macromolecule drug. The overall drug discovery/development process can be divided into four convenient steps: target selection and validation; choice between small‐molecule and macromolecule platforms; definition of target product profile; and drug discovery and development. This article focuses on various issues associated with development of macromolecules compared small molecules.

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Knowledge-Driven Lead Discovery

Cited by 7 publications

References 72 publications

The impact of molecular biology on drug discovery

The impact of molecular biology on drug discovery

Fragment-Based Drug Discovery: What has it Achieved so Far?

Overview: Differentiating Issues in the Development of Macromolecules Compared with Small Molecules

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