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

dc.contributor.authorPatil, Mangesh
dc.contributor.authorChoudhari, Amit S.
dc.contributor.authorPandita, Savita
dc.contributor.authorRaina, Prerna
dc.contributor.authorKaul-Ghanekar, Ruchika
dc.date.accessioned2018-03-12T08:45:36Z
dc.date.available2018-03-12T08:45:36Z
dc.date.issued2017-10-11
dc.description.abstractBACKGROUND : 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.departmentChemical Pathologyen_ZA
dc.description.librarianam2018en_ZA
dc.description.sponsorshipMA 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.urihttp://www.phcog.comen_ZA
dc.identifier.citationPatil 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.issn0973-1296 (print)
dc.identifier.issn0976-4062 (online)
dc.identifier.other10.4103/pm.pm_389_16
dc.identifier.urihttp://hdl.handle.net/2263/64201
dc.language.isoenen_ZA
dc.publisherMedknowen_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.subjectAbsorptionen_ZA
dc.subjectCinnamonen_ZA
dc.subjectDensity functional theory (DFT)en_ZA
dc.subjectDistributionen_ZA
dc.subjectExcretionen_ZA
dc.subjectMetabolismen_ZA
dc.subjectToxicity predictionen_ZA
dc.subjectMolecular dockingen_ZA
dc.subjectSynthetic accessibilityen_ZA
dc.subjectHistone deacetylase family member 8 (HDAC8)en_ZA
dc.subjectCinnamyl alcohol (CALC)en_ZA
dc.subjectCinnamic acid (CA)en_ZA
dc.subjectCinnamaldehyde (CAL)en_ZA
dc.subjectAqueous cinnamon extract (ACE)en_ZA
dc.subjectTrichostatin A (TSA)en_ZA
dc.subject.otherHealth sciences articles SDG-03
dc.subject.otherSDG-03: Good health and well-being
dc.subject.otherHealth sciences articles SDG-17
dc.subject.otherSDG-17: Partnerships for the goals
dc.titleCinnamaldehyde, cinnamic acid, and cinnamyl alcohol, the bioactives of cinnamomum cassia exhibit HDAC8 inhibitory activity : an in vitro and in silico studyen_ZA
dc.typeArticleen_ZA

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