Cinnamaldehyde, cinnamic acid, and cinnamyl alcohol, the bioactives of cinnamomum cassia exhibit HDAC8 inhibitory activity : an in vitro and in silico study

Show simple item record Patil, Mangesh Choudhari, Amit S. Pandita, Savita Raina, Prerna Kaul-Ghanekar, Ruchika 2018-03-12T08:45:36Z 2018-03-12T08:45:36Z 2017-10-11
dc.description.abstract BACKGROUND : The altered expression of histone deacetylase family member 8 (HDAC8) has been found to be linked with various cancers, thereby making its selective inhibition a potential strategy in cancer therapy. Recently, plant secondary metabolites, particularly phenolic compounds, have been shown to possess HDAC inhibitory activity. OBJECTIVE : In the present work, we have evaluated the ability of cinnamaldehyde (CAL), cinnamic acid (CA), and cinnamyl alcohol (CALC) (bioactives of Cinnamomum) as well as aqueous cinnamon extract (ACE), to inhibit HDAC8 activity in vitro and in silico. MATERIALS AND METHODS : HDAC8 inhibitory activity of ACE and cinnamon bioactives was determined in vitro using HDAC8 inhibitor screening kit. Trichostatin A (TSA), a well‑known anti‑cancer agent and HDAC inhibitor, was used as a positive control. In silico studies included molecular descriptor Analysis molecular docking absorption, distribution, metabolism, excretion, and toxicity prediction, density function theory calculation and synthetic accessibility program. RESULTS : Pharmacoinformatics studies implicated that ACE and its Bioactives (CAL, CA, and CALC) exhibited comparable activity with that of TSA. The highest occupied molecular orbitals and lowest unoccupied molecular orbitals along with binding energy of cinnamon bioactives were comparable with that of TSA. Molecular docking results suggested that all the ligands maintained two hydrogen bond interactions within the active site of HDAC8. Finally, the synthetic accessibility values showed that cinnamon bioactives were easy to synthesize compared to TSA. CONCLUSION : It was evident from both the experimental and computational data that cinnamon bioactives exhibited significant HDAC8 inhibitory activity, thereby suggesting their potential therapeutic implications against cancer. en_ZA
dc.description.department Chemical Pathology en_ZA
dc.description.librarian am2018 en_ZA
dc.description.sponsorship MA Islam was funded by the University of Pretoria Vice Chancellor’s post doctoral and NRF Innovation Post-doctoral fellowship schemes, South Africa, and Choudhari was funded by CSIR Senior Research Fellowship. en_ZA
dc.description.uri en_ZA
dc.identifier.citation Patil M, Choudhari AS, Pandita S, Islam M, Raina P, Kaul‑Ghanekar R. Cinnamaldehyde, Cinnamic Acid, and Cinnamyl Alcohol, the Bioactives of Cinnamomum cassia Exhibit HDAC8 Inhibitory Activity: An In vitro and In silico Study. Pharmacogn Mag 2017; 13(51): 645–651. en_ZA
dc.identifier.issn 0973-1296 (print)
dc.identifier.issn 0976-4062 (online)
dc.identifier.other 10.4103/pm.pm_389_16
dc.language.iso en en_ZA
dc.publisher Medknow en_ZA
dc.rights © 2017 Pharmacognosy Magazine. This is an open access article distributed under the terms of the Creative Commons Attribution‑NonCommercial‑ShareAlike 3.0 License. en_ZA
dc.subject Absorption en_ZA
dc.subject Cinnamon en_ZA
dc.subject Density functional theory (DFT) en_ZA
dc.subject Distribution en_ZA
dc.subject Excretion en_ZA
dc.subject Metabolism en_ZA
dc.subject Toxicity prediction en_ZA
dc.subject Molecular docking en_ZA
dc.subject Synthetic accessibility en_ZA
dc.subject Histone deacetylase family member 8 (HDAC8) en_ZA
dc.subject Cinnamyl alcohol (CALC) en_ZA
dc.subject Cinnamic acid (CA) en_ZA
dc.subject Cinnamaldehyde (CAL) en_ZA
dc.subject Aqueous cinnamon extract (ACE) en_ZA
dc.subject Trichostatin A (TSA) en_ZA
dc.title Cinnamaldehyde, cinnamic acid, and cinnamyl alcohol, the bioactives of cinnamomum cassia exhibit HDAC8 inhibitory activity : an in vitro and in silico study en_ZA
dc.type Article en_ZA

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