设计针对经典HDAC的亚型选择性抑制剂用于有效的抗癌治疗：洞察和观点来自In Silico

Title:Designing Isoform-selective Inhibitors Against Classical HDACs for Effective Anticancer Therapy: Insight and Perspectives from In Silico

Volume: 19 Issue: 7

关键词: HATs，HDACs，HDACi，异构体选择性抑制剂，抗癌疗法，基因表达。

摘要: 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.

Cite this article as:

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