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In drug discovery

Direct property prediction is a standard technique in drug discovery. "Reverse property prediction can be exemplified with chromatography application databases that contain separations, including method details and assigned chemical structures for each chromatogram. Retrieving compounds present in the database that are similar to the query allows the retrieval of suitable separation conditions for use with the query (method selection). [Pg.313]

J M and J S Dixon 1993. A Good Ligand Is Hard to Find Automated Docking Methods. spectives in Drug Discovery and Design 1 301-319. [Pg.736]

H. Van de Waterbeemd, Advanced Computer-Asissted Techigues in Drug Discovery John Wiley Sons, New York (1995). [Pg.299]

Combinatorial chemistry has played an increasing role in drug discovery. Wacker et al. extended the Madelung indole process successfully to solid phase library synthesis for the preparation of 2,3-disubstituted indoles. A number of examples follow in the table. [Pg.143]

N-Heterocycles as neuronal acetylcholine receptors in drug discovery 97JMC4169. [Pg.231]

Today, 3D databases, which provide the means for storing and searching for 3D information of compounds, are proven to be useful tools in drug discovery programs. This is well exemplified with the recent discovery of novel nonpeptide HIV-1 protease inhibitors using pharmacophore searches of the National Cancer Institute 3D structural database [13-15]. [Pg.106]

Previously, pharmacologists were constrained to the prewired sensitivity of isolated tissues for agonist study. As discussed in Chapter 2, different tissues possess different densities of receptor, different receptor co-proteins in the membranes, and different efficiencies of stimulus-response mechanisms. Judicious choice of tissue type could yield uniquely useful pharmacologic systems (i.e., sensitive screening tissues). However, before the availability of recombinant systems these choices were limited. With the ability to express different densities of human target proteins such as receptors has come a transformation in drug discovery. Recombinant cellular systems can now... [Pg.85]

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. [Pg.172]

Stockman BJ, Dalvit C (2002) NMR screening techniques in drug discovery and drug design. Prog NMR Spectrosc 41 187-231... [Pg.1109]

In drug discovery, a chemist usually begins by investigating compounds that have already shown medicinal value. A fruitful path is to find a natural product, an organic compound found in nature, that has been shown to have healing characteristics. Nature is the best of all synthetic chemists, with billions of chemicals that fulfill as many different needs. The challenge is to find compounds that have curative powers. These substances are found in different ways random or blind collection of samples that are then tested, or collection of specific samples identified by native healers as medically effective. [Pg.219]

Patel, R.N. (2006) Current Opinion in Drug Discovery and Development, 9, 741. [Pg.130]

Bray KL (2001) High Pressure Probes of Electronic Structure and Luminescence Properties of Transition Metal and Lanthanide Systems. 213 1-94 Bronstein LM (2003) Nanoparticles Made in Mesoporous Solids. 226 55-89 Bronstrup M (2003) High Throughput Mass Spectrometry for Compound Characterization in Drug Discovery. 225 275-294... [Pg.231]

Soars MG, McGinnity DF, Grime K, RUey RJ (2006) The pivotal role of hepatocytes in drug discovery, Chem Biol Interact 168 2-15... [Pg.50]

A crucial issue for antiviral therapy is the fact that all antiviral substances rapidly select for resistance thus, monitoring and overcoming resistance has become a most important clinical paradigm of antiviral therapy. This calls for cautious use of antiviral drugs and implementation of combination therapies. In parallel, efforts in drug discovery have to be continued to develop compounds with novel mode-of-action and activity against resistant strains. This book reviews the current status of antiviral therapy, from the roads to development of new compounds to their clinical use and cost effectiveness. Individual chapters address in more detail all available drug classes and outline new approaches currently under development. [Pg.385]

I 7 Versatile Oligo(N-Substituted) Glycines The Many Roles of Peptoids in Drug Discovery Tab. 1.1 Comparison of key characteristics of peptides and peptoids... [Pg.2]


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See also in sourсe #XX -- [ Pg.1143 , Pg.1147 ]




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A Rationale for New Methods in Drug Discovery

ADME(T) Predictions in Drug Discovery

Application of Biotechnologies in Drug Discovery and Development

Application of Differential Hydrogen Exchange Mass Spectrometry in Small Molecule Drug Discovery

Application of Organocatalytic Cascade Reactions in Natural Product Synthesis and Drug Discovery

Applications in Drug Discovery

Applications of Multicomponent Reactions in Drug Discovery - Lead Generation to Process Development

Aqueous Solubility in Drug Discovery Chemistry, DMPK, and Biological Assays

Aspects of Chirality in Natural Products Drug Discovery

Based Methods in Drug Discovery

Biologically Orientated Synthesis in Drug Discovery

Bottlenecks, in drug discovery

Cell Cultures in Drug Discovery An Industrial Perspective

Critical Studies for Drug Discovery in hPT Primary Cell Cultures

Data mining applications in drug discovery

Drug Discovery and Development in the Middle Ages

Drug Discovery in Academia

Drug Discovery in Academia-A Case Study

Drug Discovery in the Pharmaceutical Industry

Drug discovery, in Negishi coupling formation

Epigenetic Targets in Drug Discovery Cell-Based Assays for HDAC Inhibitor Hit Validation

Evaluation of Enzyme Inhibitors in Drug Discovery, by Robert A. Copeland

Future Directions in Drug Discovery Toxicogenomics

Heterocycles in drug discovery

Identification in Drug Discovery Kathleen A. Cox, Nigel Clarke, and iane Rindgen

Importance of Heterocycles in Drug Discovery

Integration of Automated Workflow in Chemoinformatics for Drug Discovery

Is a Paradigm Shift in Drug Discovery Imminent

LC-MS in drug discovery and development

Leads in the Drug Discovery Paradigm

Medicinal chemists in drug discovery

Metabolism in drug discovery

Metastasis in Drug Discovery

Mimetics in Drug Discovery

Mining Applications in Drug Discovery

New Concepts in the Drug Discovery Process

Organic Synthesis in Drug Discovery and Development

Organic synthesis, in drug discovery

Paradigms, in drug discovery

Patents in drug discovery

Permeability - Measurement and Prediction in Drug Discovery

Pharmacokinetics in Drug Discovery and Development

Pharmacokinetics in drug discovery

Predicting Selectivity and Druggability in Drug Discovery

Primacy of the Pharmaceutical Industry in Drug Discovery and Development

Protein Crystallography in Drug Discovery

Protein in drug discovery

Recent Advances in Drug Discovery of Histamine H3 Antagonists

Revolutions in Drug Discovery

SAR Knowledge Bases in Drug Discovery

Synthetic Methods in Drug Discovery Volume

The Application of DNA-templated Libraries in Drug Discovery

The Expanding Role of HPLC in Drug Discovery

The Expert System for Metabolism Prediction in Drug Design and Discovery

The Importance of Natural Products in Drug Discovery and Development

The Polar Surface Area and Its Application in Drug Discovery

The Role of Synthetic Chemistry in Drug Discovery

The Use of Scoring Functions in Drug Discovery Applications

The Value of Chemical Genetics in Drug Discovery

Tools and Their Integration in the Drug Discovery Process

Tools for Drug Discovery in Agricultural Research

Trends in Drug Discovery and Development

Use of Transition Metal-Catalyzed Cascade Reactions in Natural Product Synthesis and Drug Discovery

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