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

Dandan Xi; Yan Niu; Hongyue Li; Stefan M Noha; Veronika Temml; Daniela Brigitte Schuster; Chao Wang; Fengrong Xu; Ping Xu

doi:10.1016/j.ejmech.2019.06.027

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

Dandan Xi
, Yan Niu
, Hongyue Li
, Stefan M Noha
, Veronika Temml
, Daniela Brigitte Schuster (Co-author)
, Chao Wang
, Fengrong Xu
, Ping Xu

Insitute of Pharmacy

Research output: Contribution to journal › Original Article › peer-review

14 Citations (Web of Science)

Original language	English
Pages (from-to)	802-817
Journal	EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Volume	178
DOIs	https://doi.org/10.1016/j.ejmech.2019.06.027
Publication status	Published - 2019

Keywords

STRUCTURE-BASED DESIGN
KINASE
ANALOGS
POTENT
ACTIVATION

Access to Document

10.1016/j.ejmech.2019.06.027

Cite this

Xi, D., Niu, Y., Li, H., Noha, S. M., Temml, V., Schuster, D. B., Wang, C., Xu, F., & Xu, P. (2019). Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , 178, 802-817. https://doi.org/10.1016/j.ejmech.2019.06.027

Xi, Dandan ; Niu, Yan ; Li, Hongyue et al. / Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening. In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 2019 ; Vol. 178. pp. 802-817.

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title = "Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening.",

keywords = "STRUCTURE-BASED DESIGN, KINASE, ANALOGS, POTENT, ACTIVATION",

author = "Dandan Xi and Yan Niu and Hongyue Li and Noha, \{Stefan M\} and Veronika Temml and Schuster, \{Daniela Brigitte\} and Chao Wang and Fengrong Xu and Ping Xu",

note = "Schuster: Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020, Salzburg, Austria",

year = "2019",

doi = "10.1016/j.ejmech.2019.06.027",

language = "English",

volume = "178",

pages = "802--817",

journal = "EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY ",

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Xi, D, Niu, Y, Li, H, Noha, SM, Temml, V , Schuster, DB, Wang, C, Xu, F & Xu, P 2019, 'Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening.', EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , vol. 178, pp. 802-817. https://doi.org/10.1016/j.ejmech.2019.06.027

Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening. / Xi, Dandan; Niu, Yan; Li, Hongyue et al.
In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY , Vol. 178, 2019, p. 802-817.

Research output: Contribution to journal › Original Article › peer-review

TY - JOUR

T1 - Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening.

AU - Xi, Dandan

AU - Niu, Yan

AU - Li, Hongyue

AU - Noha, Stefan M

AU - Temml, Veronika

AU - Schuster, Daniela Brigitte

AU - Wang, Chao

AU - Xu, Fengrong

AU - Xu, Ping

N1 - Schuster: Institute of Pharmacy, Department of Pharmaceutical and Medicinal Chemistry, Paracelsus Medical University Salzburg, Strubergasse 21, 5020, Salzburg, Austria

PY - 2019

Y1 - 2019

KW - STRUCTURE-BASED DESIGN

KW - KINASE

KW - ANALOGS

KW - POTENT

KW - ACTIVATION

U2 - 10.1016/j.ejmech.2019.06.027

DO - 10.1016/j.ejmech.2019.06.027

M3 - Original Article

C2 - 31252285

SN - 0223-5234

VL - 178

SP - 802

EP - 817

JO - EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

JF - EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

ER -

Xi D, Niu Y, Li H, Noha SM, Temml V , Schuster DB et al. Discovery of carbazole derivatives as novel allosteric MEK inhibitors by pharmacophore modeling and virtual screening. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY . 2019;178:802-817. doi: 10.1016/j.ejmech.2019.06.027