Discovery of new oxadiazolo pyridine derivatives as potent ghrelin O-acyltransferase inhibitors using molecular modeling techniques.

ADMET DFT Ghrelin O-acyltransferase Molecular docking Molecular dynamics simulation Oxadiazolo pyridine QSARINS

Journal

In silico pharmacology
ISSN: 2193-9616
Titre abrégé: In Silico Pharmacol
Pays: Germany
ID NLM: 101623954

Informations de publication

Date de publication:
2023
Historique:
received: 16 02 2023
accepted: 04 10 2023
pmc-release: 09 11 2024
medline: 13 11 2023
pubmed: 13 11 2023
entrez: 13 11 2023
Statut: epublish

Résumé

Diabesity is a major global health concern, and ghrelin O-acyltransferase (GOAT) acts as an important target for the development of new inhibitors of this disease. The present work highlights a detailed QSAR study using QSARINS software, which provides an excellent model equation using descriptors. Here, the best model equation developed has two variables, namely MLFER_E and XlogP, with statistical parameters R METTL3-mediated HOTAIRM1 promotes vasculogenic mimicry in glioma via regulating IGFBP2 expression. METTL3 expression is high in glioma cells and tissues that stabilize and enhance HOTAIRM1 expression. This HOTAIRM1 then interacts with IGFBP2 which in turn promotes glioma cell malignancy and vasculogenic mimicry (VM) formation, thus providing a new direction for glioma therapy. The online version contains supplementary material available at 10.1007/s40203-023-00167-z.

Identifiants

pubmed: 37954893
doi: 10.1007/s40203-023-00167-z
pii: 167
pmc: PMC10632319
doi:

Types de publication

Journal Article

Langues

eng

Pagination

35

Informations de copyright

© The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Déclaration de conflit d'intérêts

Conflict of interestThe authors declare no conflict of interest.

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Auteurs

Kaushik Sarkar (K)

Department of Chemistry, University of North Bengal, Darjeeling, 734013 West Bengal India.

Bipasha Das (B)

Department of Chemistry, University of North Bengal, Darjeeling, 734013 West Bengal India.

Rajesh Kumar Das (RK)

Department of Chemistry, University of North Bengal, Darjeeling, 734013 West Bengal India.

Classifications MeSH