Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin-MLL interaction

Hai-Jing Zhong; Bo Ra Lee; Joshua William Boyle; Wanhe Wang; Dik-Lung Edmond Ma; Philip Wai Hong Chan; Chung-Hang Duncan Leung

doi:10.1039/c6cc01079b

Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin-MLL interaction

Hai-Jing Zhong
, Bo Ra Lee
, Joshua William Boyle
, Wanhe Wang
, Dik-Lung Edmond Ma
, Philip Wai Hong Chan
, Chung-Hang Duncan Leung

School of Chemistry

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

34 Citations (Scopus)

Abstract

The natural product-like compound 1 was identified as a direct inhibitor of the menin-MLL interaction by in silico screening. Structure-based optimization furnished analogue 1a, which showed significantly higher potency than both the lead structure 1 and the reference compound MI-2.

Original language	English
Pages (from-to)	5788-5791
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	34
DOIs	https://doi.org/10.1039/c6cc01079b
Publication status	Published - 30 Apr 2016

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41877640-oaAccepted author manuscript, 584 KBLicence: Unspecified

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title = "Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin-MLL interaction",

abstract = "The natural product-like compound 1 was identified as a direct inhibitor of the menin-MLL interaction by in silico screening. Structure-based optimization furnished analogue 1a, which showed significantly higher potency than both the lead structure 1 and the reference compound MI-2.",

author = "Hai-Jing Zhong and Lee, \{Bo Ra\} and Boyle, \{Joshua William\} and Wanhe Wang and Ma, \{Dik-Lung Edmond\} and \{Hong Chan\}, \{Philip Wai\} and Leung, \{Chung-Hang Duncan\}",

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T1 - Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin-MLL interaction

AU - Zhong, Hai-Jing

AU - Lee, Bo Ra

AU - Boyle, Joshua William

AU - Wang, Wanhe

AU - Ma, Dik-Lung Edmond

AU - Hong Chan, Philip Wai

AU - Leung, Chung-Hang Duncan

PY - 2016/4/30

Y1 - 2016/4/30

N2 - The natural product-like compound 1 was identified as a direct inhibitor of the menin-MLL interaction by in silico screening. Structure-based optimization furnished analogue 1a, which showed significantly higher potency than both the lead structure 1 and the reference compound MI-2.

AB - The natural product-like compound 1 was identified as a direct inhibitor of the menin-MLL interaction by in silico screening. Structure-based optimization furnished analogue 1a, which showed significantly higher potency than both the lead structure 1 and the reference compound MI-2.

UR - https://www.scopus.com/pages/publications/84966289652

U2 - 10.1039/c6cc01079b

DO - 10.1039/c6cc01079b

M3 - Article

AN - SCOPUS:84966289652

SN - 1359-7345

VL - 52

SP - 5788

EP - 5791

JO - Chemical Communications

JF - Chemical Communications

IS - 34

ER -

Structure-based screening and optimization of cytisine derivatives as inhibitors of the menin-MLL interaction

Abstract

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