Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors.

Transcription Factors / chemistry Ligands Retrospective Studies Peptides / pharmacology Drug Design

Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
24 04 2023
Historique:
medline: 25 4 2023
pubmed: 4 4 2023
entrez: 3 4 2023
Statut: ppublish

Résumé

Disruption of the YAP-TEAD protein-protein interaction is an attractive therapeutic strategy in oncology to suppress tumor progression and cancer metastasis. YAP binds to TEAD at a large flat binding interface (∼3500 Å

Identifiants

DOI: 10.1021/acs.jcim.3c00122 PMID: 37010474
pubmed: 37010474
doi: 10.1021/acs.jcim.3c00122
doi:

Substances chimiques

Transcription Factors 0
Ligands 0
Peptides 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

2520-2531

Auteurs

Ernest Awoonor-Williams (E)

Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.
ORCID: 0000-0002-9127-8539

Callum J Dickson (CJ)

Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.
ORCID: 0000-0003-4013-6394

Pascal Furet (P)

Novartis Institutes for BioMedical Research, CH-4002 Basel, Switzerland.

Andrei A Golosov (AA)

Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.

Viktor Hornak (V)

Novartis Institutes for BioMedical Research, 181 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.
ORCID: 0000-0002-2344-9586

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Classifications MeSH

questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Facteurs de transcription › Leveraging Advanced In Silico Techniques in...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Produits chimiques de laboratoire › Ligands › Leveraging Advanced In Silico Techniques in...
questionsmedicales.fr › Environnement et santé publique › Santé publique › Méthodes épidémiologiques › Caractéristiques des études épidémiologiques › Études épidémiologiques › Études de cohortes › Études rétrospectives › Leveraging Advanced In Silico Techniques in...
questionsmedicales.fr › Acides aminés, peptides et protéines › Peptides › Leveraging Advanced In Silico Techniques in...
questionsmedicales.fr › Techniques d'investigation › Développement de médicament › Découverte de médicament › Conception de médicament › Leveraging Advanced In Silico Techniques in...