Abstract
Overactivity of histone deacetylases (HDACs) is the underlying cause of some cancers, thus, inhibiting their overactivities is a rational treatment option. However, endeavors to employ current anti-HDACs agents in cancer treatment have yielded limited success. Consequently, there is need to explore anti-HDACs natural products, especially from plants sources, because of the intimate relationship plant products and drug discovery have enjoyed over the centuries. To identify possible HDACs inhibitors, Garcinia kola (Guttiferae) seed-derived compounds were screened in silico for HDAC-inhibitory tendencies because of their reported anticancer potentials. Fifteen G. kola-derived compounds and givinostat were docked with five selected HDACs using AutodockVina, while the binding interactions of the compounds with high binding affinities for the five HDACs were viewed with Discovery Studio Visualizer BIOVIA, 2016. Results indicated that four of the compounds studied, including amentoflavone, Garcinia biflavonoid 1, Garcinia biflavonoid 2 and kolaflavanone have higher binding propensity for all the five HDACs relative to givinostat, the standard HDAC inhibitor. This study indicated that inhibition of HDAC might be another key mechanism accountable for the bioactivities of G. kola and its intrinsic compounds. The results from this study implied that the compounds could be further investigated as drugable HDAC inhibitors with potential pharmacological applications in the treatment of cancers.
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Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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© 2021 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Frontmatter
- Reviews
- Magnetic characterization of magnetoactive elastomers containing magnetic hard particles using first-order reversal curve analysis
- Microscopic understanding of particle-matrix interaction in magnetic hybrid materials by element-specific spectroscopy
- Biodeinking: an eco-friendly alternative for chemicals based recycled fiber processing
- Bio-based polyurethane aqueous dispersions
- Cellulose-based polymers
- Biodegradable shape-memory polymers and composites
- Natural substances in cancer—do they work?
- Personalized and targeted therapies
- Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction
- Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery
- Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State
- Techniques for the detection and quantification of emerging contaminants
- Occurrence, fate, and toxicity of emerging contaminants in a diverse ecosystem
- Updates on the versatile quinoline heterocycles as anticancer agents
- Trends in microbial degradation and bioremediation of emerging contaminants
- Power to the city: Assessing the rooftop solar photovoltaic potential in multiple cities of Ecuador
- Phytoremediation as an effective tool to handle emerging contaminants
- Recent advances and prospects for industrial waste management and product recovery for environmental appliances: a review
- Integrating multi-objective superstructure optimization and multi-criteria assessment: a novel methodology for sustainable process design
- A conversation on the quartic equation of the secular determinant of methylenecyclopropene
- Recent developments in the synthesis and anti-cancer activity of acridine and xanthine-based molecules
- An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents
- Fragment based drug design
- Advances in heterocycles as DNA intercalating cancer drugs
- Systems biology–the transformative approach to integrate sciences across disciplines
- Pharmaceutical interest of in-silico approaches
- Membrane technologies for sports supplementation
- Fused pyrrolo-pyridines and pyrrolo-(iso)quinoline as anticancer agents
- Membrane applications in the food industry
- Membrane techniques in the production of beverages
- Statistical methods for in silico tools used for risk assessment and toxicology
- Dicarbonyl compounds in the synthesis of heterocycles under green conditions
- Green synthesis of triazolo-nucleoside conjugates via azide–alkyne C–N bond formation
- Anaerobic digestion fundamentals, challenges, and technological advances
- Survival is the driver for adaptation: safety engineering changed the future, security engineering prevented disasters and transition engineering navigates the pathway to the climate-safe future
Articles in the same Issue
- Frontmatter
- Reviews
- Magnetic characterization of magnetoactive elastomers containing magnetic hard particles using first-order reversal curve analysis
- Microscopic understanding of particle-matrix interaction in magnetic hybrid materials by element-specific spectroscopy
- Biodeinking: an eco-friendly alternative for chemicals based recycled fiber processing
- Bio-based polyurethane aqueous dispersions
- Cellulose-based polymers
- Biodegradable shape-memory polymers and composites
- Natural substances in cancer—do they work?
- Personalized and targeted therapies
- Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction
- Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery
- Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State
- Techniques for the detection and quantification of emerging contaminants
- Occurrence, fate, and toxicity of emerging contaminants in a diverse ecosystem
- Updates on the versatile quinoline heterocycles as anticancer agents
- Trends in microbial degradation and bioremediation of emerging contaminants
- Power to the city: Assessing the rooftop solar photovoltaic potential in multiple cities of Ecuador
- Phytoremediation as an effective tool to handle emerging contaminants
- Recent advances and prospects for industrial waste management and product recovery for environmental appliances: a review
- Integrating multi-objective superstructure optimization and multi-criteria assessment: a novel methodology for sustainable process design
- A conversation on the quartic equation of the secular determinant of methylenecyclopropene
- Recent developments in the synthesis and anti-cancer activity of acridine and xanthine-based molecules
- An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents
- Fragment based drug design
- Advances in heterocycles as DNA intercalating cancer drugs
- Systems biology–the transformative approach to integrate sciences across disciplines
- Pharmaceutical interest of in-silico approaches
- Membrane technologies for sports supplementation
- Fused pyrrolo-pyridines and pyrrolo-(iso)quinoline as anticancer agents
- Membrane applications in the food industry
- Membrane techniques in the production of beverages
- Statistical methods for in silico tools used for risk assessment and toxicology
- Dicarbonyl compounds in the synthesis of heterocycles under green conditions
- Green synthesis of triazolo-nucleoside conjugates via azide–alkyne C–N bond formation
- Anaerobic digestion fundamentals, challenges, and technological advances
- Survival is the driver for adaptation: safety engineering changed the future, security engineering prevented disasters and transition engineering navigates the pathway to the climate-safe future