Histone Deacetylase Inhibitors

Monneret, Claude

doi:10.1002/chin.200519250

Cited by 58 publications

(81 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Histone can be in one of the two antagonist forms, acetylated or deacetylated, equilibrium regulated by corresponding enzymes, histone acetylases and histone deacetylases [1]. Histone deacetylases (HDACs) represent a family of enzymes that compete with histone acetyltransferases (HATs) to modulate chromatin structure and transcriptional activity via change in acetylation status of nucleosomal histones [2].…”

Section: Introductionmentioning

confidence: 99%

Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

Vadivelan

Sinha

Gundla³

et al. 2008

Journal of Molecular Graphics and Modelling

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

Vadivelan

Sinha

Gundla³

et al. 2008

Journal of Molecular Graphics and Modelling

View full text Add to dashboard Cite

“…HDACs are deacetylating the e-amino groups of lysine located near the amino termini of core histone proteins (Monneret, 2005;Mai et al, 2002). To date, four classes of mammalian HDACs are known according to their homology with the corresponding yeast transcriptional regulators.…”

Section: Introductionmentioning

confidence: 99%

Molecular modeling study of uracil-based hydroxamic acids-containing histone deacetylase inhibitors

Sharma

2019

Arabian Journal of Chemistry

View full text Add to dashboard Cite

A quantitative structure activity relationship study was performed on a series of uracil based hydroxamide Inhibitors of maize deacetylases HD2 and histone deacetylase (Mouse HDAC1) activity for establishing quantitative relationship between biological activity and their physicochemical properties. The two dimensional and k-nearest neighbor studies were performed using partial least square methodology coupled with genetic algorithm (GA) and simulated annealing (SA) was applied to derive models. The 2D model developed gave good correlation coefficient (r 2 ) of 0.8498, and r 2 for external test set (pred_r 2 ) 0.7932 was developed by GA-PLS with the descriptors such as Hydrogen count, SsssCHcount, and SdsCHE-index. k-nearest neighbor method was applied for the generation of steric and electrostatic descriptors based on aligned structures. 3D QSAR studies produced reasonably good predictive models with high cross-validated q 2 value of 0.679 and pred_r 2 = 0.733 values using the model GA kNN-MFA method. The best pharmacophore shows that the four features used were one AroC feature (Aromatic), one AlaC (aliphatic) and two HAc (Hydrogen bond acceptor) features. The average RMSD of the pharmacophore alignment of each two molecules is 0.0754 Å . The QSAR result gives relationship between structural Uracil-based hydroxamic acids derivatives and their activities which should be useful to design newer histone deacetylase inhibitors. ª 2015 The Authors. Production and hosting by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

show abstract

“…Class I (HDAC1-3 and 8), class II (HDAC4-7, 9 and 10) and class IV (HDAC11) HDACs are zinc-dependent enzymes. Class III HDACs are sirtuin proteins that are dependent on NAD+ for their activity [26,27]. Most of the currently known inhibitors are not selective to inhibit individual HDAC enzymes because of the highly conserved active site in all HDAC isoforms.…”

Section: Introductionmentioning

confidence: 99%

Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery

Thangapandian

Strouboulis

Sakkiah

et al. 2010

Journal of Molecular Graphics and Modelling

View full text Add to dashboard Cite

Histone Deacetylase Inhibitors

Abstract: For Abstract see ChemInform Abstract in Full Text.

Cited by 58 publications

References 1 publication

Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

Pharmacophore modeling and virtual screening studies to design some potential histone deacetylase inhibitors as new leads

Molecular modeling study of uracil-based hydroxamic acids-containing histone deacetylase inhibitors

Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery

Contact Info

Product

Resources

About