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Predicting in silico which mixtures of the natural products of plants might most effectively kill human leukemia cells?

El-Shemy HA, Aboul-Enein KM, Lightfoot DA - Evid Based Complement Alternat Med (2013)

Bottom Line: Improvements in effectiveness were predicted for artificial combinations of 2 or 3 natural products.Among natural products, the combinations of aloe emodin with mevinolin and honokiol were predicted to be the most effective combination for AML-related predicted binding proteins.Therefore, plant extracts may in future provide more effective medicines than the single purified natural products of modern medicine, in some cases.

View Article: PubMed Central - PubMed

Affiliation: Faculty of Agriculture Research Park (FARP) and Department of Biochemistry, Faculty of Agriculture, Cairo University, Giza 12513, Egypt.

ABSTRACT
The aim of the analysis of just 13 natural products of plants was to predict the most likely effective artificial mixtures of 2-3 most effective natural products on leukemia cells from over 364 possible mixtures. The natural product selected included resveratrol, honokiol, chrysin, limonene, cholecalciferol, cerulenin, aloe emodin, and salicin and had over 600 potential protein targets. Target profiling used the Ontomine set of tools for literature searches of potential binding proteins, binding constant predictions, binding site predictions, and pathway network pattern analysis. The analyses indicated that 6 of the 13 natural products predicted binding proteins which were important targets for established cancer treatments. Improvements in effectiveness were predicted for artificial combinations of 2 or 3 natural products. That effect might be attributed to drug synergism rather than increased numbers of binding proteins bound (dose effects). Among natural products, the combinations of aloe emodin with mevinolin and honokiol were predicted to be the most effective combination for AML-related predicted binding proteins. Therefore, plant extracts may in future provide more effective medicines than the single purified natural products of modern medicine, in some cases.

No MeSH data available.


Related in: MedlinePlus

Drug combination selections. Values inside beige squares were the Combiscores. Each black box was the mean used to derive the cutoff.
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fig3: Drug combination selections. Values inside beige squares were the Combiscores. Each black box was the mean used to derive the cutoff.

Mentions: Considering sets of three natural products with predicted synergistic interactions 15 combinations were found (Table 3 (b)). Eleven drug combinations included aloe emodin, again suggesting that this natural product would work well in many mixtures. There were 5 mixtures that included honokiol but only 3 for chrysin. Again natural product not predicted to be effective alone like limonene could be effective in multiple mixtures (Figure 3).


Predicting in silico which mixtures of the natural products of plants might most effectively kill human leukemia cells?

El-Shemy HA, Aboul-Enein KM, Lightfoot DA - Evid Based Complement Alternat Med (2013)

Drug combination selections. Values inside beige squares were the Combiscores. Each black box was the mean used to derive the cutoff.
© Copyright Policy - open-access
Related In: Results  -  Collection

Show All Figures
getmorefigures.php?uid=PMC3569894&req=5

fig3: Drug combination selections. Values inside beige squares were the Combiscores. Each black box was the mean used to derive the cutoff.
Mentions: Considering sets of three natural products with predicted synergistic interactions 15 combinations were found (Table 3 (b)). Eleven drug combinations included aloe emodin, again suggesting that this natural product would work well in many mixtures. There were 5 mixtures that included honokiol but only 3 for chrysin. Again natural product not predicted to be effective alone like limonene could be effective in multiple mixtures (Figure 3).

Bottom Line: Improvements in effectiveness were predicted for artificial combinations of 2 or 3 natural products.Among natural products, the combinations of aloe emodin with mevinolin and honokiol were predicted to be the most effective combination for AML-related predicted binding proteins.Therefore, plant extracts may in future provide more effective medicines than the single purified natural products of modern medicine, in some cases.

View Article: PubMed Central - PubMed

Affiliation: Faculty of Agriculture Research Park (FARP) and Department of Biochemistry, Faculty of Agriculture, Cairo University, Giza 12513, Egypt.

ABSTRACT
The aim of the analysis of just 13 natural products of plants was to predict the most likely effective artificial mixtures of 2-3 most effective natural products on leukemia cells from over 364 possible mixtures. The natural product selected included resveratrol, honokiol, chrysin, limonene, cholecalciferol, cerulenin, aloe emodin, and salicin and had over 600 potential protein targets. Target profiling used the Ontomine set of tools for literature searches of potential binding proteins, binding constant predictions, binding site predictions, and pathway network pattern analysis. The analyses indicated that 6 of the 13 natural products predicted binding proteins which were important targets for established cancer treatments. Improvements in effectiveness were predicted for artificial combinations of 2 or 3 natural products. That effect might be attributed to drug synergism rather than increased numbers of binding proteins bound (dose effects). Among natural products, the combinations of aloe emodin with mevinolin and honokiol were predicted to be the most effective combination for AML-related predicted binding proteins. Therefore, plant extracts may in future provide more effective medicines than the single purified natural products of modern medicine, in some cases.

No MeSH data available.


Related in: MedlinePlus