Abstract
Histone deacetylase inhibitors, the small molecules modulating the biological activity of histone deacetylases are emerging as potent chemotherapeutic agents. Despite their considerable therapeutic benefits in disease models, the lack of isoform specificity culminates in debilitating off target effects, raising serious concerns regarding their applicability. This emphasizes the pressing and unmet medical need of designing isoform selective inhibitors for safe and effective anticancer therapy. Keeping these grim facts in view, the current article sheds light on structural basis of off-targeting. Furthermore, the article discusses extensively the role of in silico strategies such as Molecular Docking, Molecular Dynamics Simulation and Energetically-optimized structure based pharmacophore approach in designing on-target inhibitors against classical HDACs.
Keywords: HATs, HDACs, HDACi, isoform-selective inhibitors, anticancer therapy, gene expression.
Current Drug Targets
Title:Designing Isoform-selective Inhibitors Against Classical HDACs for Effective Anticancer Therapy: Insight and Perspectives from In Silico
Volume: 19 Issue: 7
Author(s): Shabir Ahmad Ganai*
Affiliation:
- Department of Biotechnology, University of Kashmir, Hazratbal, Srinagar-190006, Jammu & Kashmir,India
Keywords: HATs, HDACs, HDACi, isoform-selective inhibitors, anticancer therapy, gene expression.
Abstract: Histone deacetylase inhibitors, the small molecules modulating the biological activity of histone deacetylases are emerging as potent chemotherapeutic agents. Despite their considerable therapeutic benefits in disease models, the lack of isoform specificity culminates in debilitating off target effects, raising serious concerns regarding their applicability. This emphasizes the pressing and unmet medical need of designing isoform selective inhibitors for safe and effective anticancer therapy. Keeping these grim facts in view, the current article sheds light on structural basis of off-targeting. Furthermore, the article discusses extensively the role of in silico strategies such as Molecular Docking, Molecular Dynamics Simulation and Energetically-optimized structure based pharmacophore approach in designing on-target inhibitors against classical HDACs.
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Cite this article as:
Ganai Ahmad Shabir*, Designing Isoform-selective Inhibitors Against Classical HDACs for Effective Anticancer Therapy: Insight and Perspectives from In Silico, Current Drug Targets 2018; 19 (7) . https://dx.doi.org/10.2174/1389450118666170112130151
DOI https://dx.doi.org/10.2174/1389450118666170112130151 |
Print ISSN 1389-4501 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-5592 |
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