ArticleIn silico pharmacology2021
Characterizing binding intensity and energetic features of histone deacetylase inhibitor pracinostat towards class I HDAC isozymes through futuristic drug designing strategy.
Article in In silico pharmacology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 12 citations in OpenAlex.
- Hydroxamic Acids as HDAC Inhibitor Drug Leads for Malaria.Medicinal research reviews · 2026Review
- Structure evaluation coupled with all-atom molecular dynamics and advanced quantum mechanical DFT revealed kaempferol as a potent binding flavonol for the epigenetic-target HDAC9.Journal of biosciences · 2026Article
- In silico pharmacological analysis of Tinospora cordifolia compounds targeting African swine fever virus B175L.PloS one · 2026Article
- Exploring novel and potent glycogen synthase kinase-3β inhibitors through systematic drug designing approach.Scientific reports · 2025Article
- Identification of plant based potential antifungal compounds against BMK-1 protein of Bipolaris oryzae using molecular docking approach.Scientific reports · 2024Article
- Deacetylation of Histones and Non-histone Proteins in Inflammatory Diseases and Cancer Therapeutic Potential of Histone Deacetylase Inhibitors.Current genomics · 2023Review
- Molecular and functional characterization of protease from psychrotrophic Bacillus sp. HM49 in North-western Himalaya.PloS one · 2023Article
- Medicinal chemistry advances in targeting class I histone deacetylases.Exploration of targeted anti-tumor therapy · 2023Review
- Molecular characterization of lipase from a psychrotrophic bacterium Pseudomonas sp. CRBC14.Current genetics · 2022Article
Corrections and comments
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Authors and funding
1 author at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pracinostat, an emerging hydroxamate histone deacetylase (HDAC) inhibitor has shown better efficacy than approved inhibitor suberoylanilide hydroxamic acid (SAHA). Apart from haematological malignancies, this inhibitor has shown promising results in preclinical models of solid tumours. Being pan-inhibitor pracinostat targets various classical HDACs and has demonstrated antiproliferative properties in a series of cancer cell lines. Currently, no energetic and structural studies are available about the pracinostat against four HDAC isozymes of Class I. Taking this into account, the current study involved flexible molecular docking for gaining insights regarding pracinostat-HDAC isozyme interactions, molecular mechanics generalized born surface area (MM-GBSA) for estimating binding affinity of this inhibitor towards these isozymes and energetically optimized pharmacophores (e-Pharmacophores) technique for delineating the critical e-pharmacophoric features of pracinostat in its least energy state in the binding pocket of these HDACs. The outcome from this study will help in further optimization of pracinostat towards better therapeutic and the e-Pharmacophores generated will serve as queries in e-Pharamcophores guided virtual screening.
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