Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening

We report in this work the discovery of novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening. Two out of 13 virtual hit compounds were identified as MEK kinase inhibitors using a MEK1 binding assay. Structural derivations on the hit compound M100 (IC50 = 27.2 ± 4.5 μM in R...
Ausführliche Beschreibung

Gespeichert in:
Autor*in:

Xi, Dandan [verfasserIn]

Niu, Yan

Li, Hongyue

Noha, Stefan M.

Temml, Veronika

Schuster, Daniela

Wang, Chao

Xu, Fengrong

Xu, Ping

Format:

E-Artikel

Sprache:

Englisch

Erschienen:

2019transfer abstract

Schlagwörter:

Pharmacophore modeling

Carbazoles

Virtual screening

Bioisosterism

MEK inhibitor

Umfang:

16

Übergeordnetes Werk:

Enthalten in: Electrochemical synthesis, photodegradation and antibacterial properties of PEG capped zinc oxide nanoparticles - Jose, Ajay ELSEVIER, 2018, Amsterdam [u.a.]

Übergeordnetes Werk:

volume:178 ; year:2019 ; day:15 ; month:09 ; pages:802-817 ; extent:16

Links:

Volltext

DOI / URN:

10.1016/j.ejmech.2019.06.027

Katalog-ID:

ELV047455772

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