Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2023 Dec 7;59(98):14555-14558.
doi: 10.1039/d3cc04317g.

Lead-oriented synthesis of epigenetic relevant scaffolds

Timothé Maujean  1 , Prakash Kannaboina  1 , Adam I Green  1 , George M Burslem  1
Affiliations

Lead-oriented synthesis of epigenetic relevant scaffolds

Timothé Maujean et al. Chem Commun (Camb). .

Abstract

A simple and rational method to rank lead-likeness of molecules using continuous evaluation functions was hereby developed. This strategy proved to be competitive against known methods and finally helped in driving synthetic efforts towards candidates of interest for epigenetic applications against HDAC6, BRD4 and EZH2.

PubMed Disclaimer

Conflict of interest statement

Conflict of Interest

The authors declare no conflict of interest.

Figures

Figure 1.
Figure 1.
General shape of the evaluation sub-functions
Figure 2.
Figure 2.
Averages and standard deviations of the core properties showing the correlation between our evaluation function Λ and lead-likeness for the MLSMR.
Figure 3.
Figure 3.
Evaluation of Compounds 1-3b as inhibitors of EZH2 methyltransferase activity.
Scheme 1.
Scheme 1.
Syntheses of our lead candidates with their Λ score.
See this image and copyright information in PMC

References

    1. Millán-Zambrano G, Burton A, Bannister AJ and Schneider R Nature Reviews Genetics 2022, 23, 563–580. - PubMed
    1. Narita T, Weinert BT and Choudhary C Nature Reviews Molecular Cell Biology 2019, 20, 156–174. - PubMed
    1. Lee JM, Hammarén HM, Savitski MM and Baek SH Nature Communications 2023, 14, 201. - PMC - PubMed
    1. Ruan K, Yamamoto TG, Asakawa H, Chikashige Y, Kimura H, Masukata H, Haraguchi T and Hiraoka Y Sci. Rep 2015, 5, 12720. - PMC - PubMed
    1. Wang W-H, Yuan T, Qian M-J, Yan F-J, Yang L, He Q-J, Yang B, Lu J-J and Zhu H Acta Pharmacol. Sin 2021, 42, 1201–1211. - PMC - PubMed

MeSH terms

LinkOut - more resources