Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling

Huaiyu Yang; Wei Dou; Jing Lou; Ying Leng; Jianhua Shen

doi:10.1016/j.bmcl.2008.01.020

Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling

Huaiyu Yang
, Wei Dou
, Jing Lou
, Ying Leng^*
, Jianhua Shen

^*Corresponding author for this work

CAS - Shanghai Institute of Materia Medica
East China University of Science and Technology

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

44 Scopus citations

Abstract

11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) is a potential target for treatment of diabetes and metabolic syndrome. Docking and pharmacophore modeling have been used to discover novel inhibitors of 11β-HSD1. Several compounds, with large structural diversity and good potency against 11β-HSD1, have been found and their potency was determined by the enzyme assay. New scaffolds of 11β-HSD1 inhibitors are also reported.

Original language	English
Pages (from-to)	1340-1345
Number of pages	6
Journal	Bioorganic and Medicinal Chemistry Letters
Volume	18
Issue number	4
DOIs	https://doi.org/10.1016/j.bmcl.2008.01.020
State	Published - 15 Feb 2008
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 3 Good Health and Well-being

Keywords

11β-HSD1
11β-HSD2
Docking
Inhibitor
Pharmacophore

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10.1016/j.bmcl.2008.01.020

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title = "Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling",

abstract = "11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) is a potential target for treatment of diabetes and metabolic syndrome. Docking and pharmacophore modeling have been used to discover novel inhibitors of 11β-HSD1. Several compounds, with large structural diversity and good potency against 11β-HSD1, have been found and their potency was determined by the enzyme assay. New scaffolds of 11β-HSD1 inhibitors are also reported.",

keywords = "11β-HSD1, 11β-HSD2, Docking, Inhibitor, Pharmacophore",

author = "Huaiyu Yang and Wei Dou and Jing Lou and Ying Leng and Jianhua Shen",

year = "2008",

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day = "15",

doi = "10.1016/j.bmcl.2008.01.020",

language = "英语",

volume = "18",

pages = "1340--1345",

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TY - JOUR

T1 - Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling

AU - Yang, Huaiyu

AU - Dou, Wei

AU - Lou, Jing

AU - Leng, Ying

AU - Shen, Jianhua

PY - 2008/2/15

Y1 - 2008/2/15

N2 - 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) is a potential target for treatment of diabetes and metabolic syndrome. Docking and pharmacophore modeling have been used to discover novel inhibitors of 11β-HSD1. Several compounds, with large structural diversity and good potency against 11β-HSD1, have been found and their potency was determined by the enzyme assay. New scaffolds of 11β-HSD1 inhibitors are also reported.

AB - 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) is a potential target for treatment of diabetes and metabolic syndrome. Docking and pharmacophore modeling have been used to discover novel inhibitors of 11β-HSD1. Several compounds, with large structural diversity and good potency against 11β-HSD1, have been found and their potency was determined by the enzyme assay. New scaffolds of 11β-HSD1 inhibitors are also reported.

KW - 11β-HSD1

KW - 11β-HSD2

KW - Docking

KW - Inhibitor

KW - Pharmacophore

UR - https://www.scopus.com/pages/publications/39049147112

U2 - 10.1016/j.bmcl.2008.01.020

DO - 10.1016/j.bmcl.2008.01.020

M3 - 文章

C2 - 18242087

AN - SCOPUS:39049147112

SN - 0960-894X

VL - 18

SP - 1340

EP - 1345

JO - Bioorganic and Medicinal Chemistry Letters

JF - Bioorganic and Medicinal Chemistry Letters

IS - 4

ER -

Discovery of novel inhibitors of 11β-hydroxysteroid dehydrogenase type 1 by docking and pharmacophore modeling

Abstract

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Keywords

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