Results 241 to 250 of about 2,290,510 (294)

Fragment-based lead discovery

Nature Reviews Drug Discovery, 2004
Fragment-based lead discovery is gaining momentum in both large pharmaceutical companies and biotechnology laboratories as a complementary approach to traditional screening. This is because fragment-based approaches require significantly fewer compounds to be screened and synthesized, and are showing a high success rate in generating chemical series ...
David C, Rees, Miles, Congreve, Christopher W, Murray, Robin, Carr   +3 more
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Fragment-based lead discovery grows up

Nature Reviews Drug Discovery, 2012
With multiple drug candidates in the clinic that originated from fragment-based lead discovery, the approach of starting small has become big. With multiple drug candidates in the clinic that originated from fragment-based lead discovery, the approach of starting small has become big.
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Microdosing in Early Lead Discovery

Bioanalysis, 2010
Microdosing provides a tool to enhance drug development by initiating human studies prior to Phase I studies. The purpose is to assist in the go versus no-go decision-making process and to eliminate early ineffective compounds from the drug pipeline. Selection of multiple potential leads can be performed at the clinical stage instead of in preclinical ...
Jekunen, A.P., Pauwels, E.K.J., Kairemo, K.J.A.   +2 more
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Fragment-based lead discovery: leads by design

Drug Discovery Today, 2005
Fragment-based lead discovery (also referred to as needles, shapes, binding elements, seed templates or scaffolds) is a new lead discovery approach in which much lower molecular weight (120-250 Da) compounds are screened relative to HTS campaigns. Fragment-based hits are typically weak inhibitors (10 microM-mM), and therefore need to be screened at ...
Robin A E, Carr, Miles, Congreve, Christopher W, Murray, David C, Rees   +3 more
openaire   +2 more sources

Lead discovery using molecular docking

Current Opinion in Chemical Biology, 2002
As the structures of more and more proteins and nucleic acids become available, molecular docking is increasingly considered for lead discovery. Recent studies consider the hit-rate enhancement of docking screens and the accuracy of docking structure predictions. As more structures are determined experimentally, docking against homology-modeled targets
Brian K, Shoichet, Susan L, McGovern, Binqing, Wei, John J, Irwin   +3 more
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Knowledge-Driven Lead Discovery

Mini-Reviews in Medicinal Chemistry, 2005
Virtual screening encompasses several computational approaches which have proven valuable for identifying novel leads. These approaches rely on available information. Herein, we review recent successful applications of virtual screening. The extension of virtual screening methodologies to target families is also briefly discussed.
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Virtual Screening for Lead Discovery

2011
The identification of small drug-like compounds that selectively inhibit the function of biological targets has historically been a major focus in the pharmaceutical industry, and in recent years, has generated much interest in academia as well. Drug-like compounds are valuable as chemical genetics tools to probe biological pathways in a reversible ...
Yat T, Tang, Garland R, Marshall
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Integrating virtual screening in lead discovery

Current Opinion in Chemical Biology, 2004
Target- and ligand-based virtual screening have emerged as resource-saving techniques that have been successfully applied to identify novel chemotypes in biologically active molecules. Eight confirmed virtual screening hits have recently been described and are discussed in this review, with focus on the workflow.
Tudor I, Oprea, Hans, Matter
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Novel strategies in antifungal lead discovery

Current Opinion in Microbiology, 2002
There have been significant developments in fungal genomics over the past year. The recently released genome sequences of Aspergillus fumigatus and Cryptococcus neoformans have provided unprecedented opportunities for comparative genomics studies of many clinically relevant fungal pathogens.
Bo, Jiang, Howard, Bussey, Terry, Roemer
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Thermodynamics guided lead discovery and optimization

Drug Discovery Today, 2010
The documented unfavorable changes of physicochemical properties during lead discovery and optimization prompted us to investigate the present practice of medicinal chemistry optimization from a thermodynamic perspective. Basic principles of binding thermodynamics suggest that discriminating between enthalpy-driven and entropy-driven optimizations ...
György G, Ferenczy, György M, Keserũ
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