InforLorV4, Main, Merge, bibRecord, 001366

Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology

Identifieur interne : 001366 ( Main/Merge ); précédent : 001365; suivant : 001367

Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology

Auteurs : Antonio Carrieri ; Violeta Pérez-Nueno [France] ; Giovanni Lentini ; David Ritchie [France]

Source :

Current Topics in Medicinal Chemistry [ 1568-0266 ] ; 2013.

RBID : Hal:hal-00880351

English descriptors

mix :
- G-Protein coupled receptors, Multi-target drug design, Polypharmacology, Virtual screening.

Abstract

Extending virtual screening approaches to deal with multi-target drug design and polypharmacology is an increasingly important aspect in drug design. In light of this, the concept of accessible chemical space and its exploration should be reviewed. The great advantages of re-using drugs with safe pharmacological profiles with favourable pharmacokinetic properties highlights drug repositioning as a valid alternative to rational drug design, massive drug development efforts, and high-throughput screening, especially when supported by in silico techniques. Here, we discuss some of the advantages of multi-target approaches, and we review some significant examples of their application in the last decade to that well known class of pharmaceutical targets, the G-protein coupled receptors.

Url:

https://hal.inria.fr/hal-00880351

DOI: 10.2174/15680266113139990028

Links toward previous steps (curation, corpus...)

to stream Hal, to step Corpus: 003F96
to stream Hal, to step Curation: 003F96
to stream Hal, to step Checkpoint: 001303

Links to Exploration step

Hal:hal-00880351

Le document en format XML

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</analytic>
<idno type="DOI">10.2174/15680266113139990028</idno>
<series><title level="j">Current Topics in Medicinal Chemistry</title>
<idno type="ISSN">1568-0266</idno>
<imprint><date type="datePub">2013</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term>G-Protein coupled receptors</term>
<term>Multi-target drug design</term>
<term>Polypharmacology</term>
<term>Virtual screening</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Extending virtual screening approaches to deal with multi-target drug design and polypharmacology is an increasingly important aspect in drug design. In light of this, the concept of accessible chemical space and its exploration should be reviewed. The great advantages of re-using drugs with safe pharmacological profiles with favourable pharmacokinetic properties highlights drug repositioning as a valid alternative to rational drug design, massive drug development efforts, and high-throughput screening, especially when supported by in silico techniques. Here, we discuss some of the advantages of multi-target approaches, and we review some significant examples of their application in the last decade to that well known class of pharmaceutical targets, the G-protein coupled receptors.</div>
</front>
</TEI>
</record>

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Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology

Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology

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