Potential interaction of natural dietary bioactive compounds with COX-2

Computational fishing of new DNA methyltransferase inhibitors from natural products

“…4. The correlation analysis indicated the inhibition of DNMT1 activity follows a highly dependence with calculated binding scores for these compounds (r= 0.83, p value <0.0001; for binding affinity vs logIC50, r= 0.65, p value <0.0001; for Total score vs logIC50), with correlation coefficients comparable to those reported in other studies for these validations[56,59,60,73] as shown inFig. 4a and Fig.…”

“…All docking calculations for ligands were performed keeping the same parameters (20 poses each), using only the highest ranked pose by Surflex-Dock [57,60].…”

“…The biological information consisted of the half maximal inhibitory concentration (µM, IC50) values for DNMT1 activity, as reported for these chemicals in PubChem BioAssay (AID: 602386, Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay). Correlation analysis to establish the relationships between binding scores on DNMT1, generated by AutoDock Vina and Surflex-Dock, and experimental biological data (LogIC50)[56,60] for DNMTis were calculated using STATISTICA 8.0 software[48].…”

Mango (Mangifera indica cv. Azucar) antiinflammatory and chemopreventive role during colorectal carcinogenesis

“…This early modulation of inflammatory factors during premalignant stages of colon carcinogenesis may be because this is a tissue where there is a permanent exchange of regulatory signals between cells via the production of mediators (cytokines, growth factors, adhesion molecules, and neuropeptides) and/or cell events (proliferation and apoptosis), and it is vulnerable to the threat (in the case of AOM) or the protection (in the case of mango) from the surrounding environment (Maldonado-Rojas et al, 2011).…”

“…Anti-inflammatory properties of phytochemicals have been described at the level of gene expression of inflammationrelated genes (Bousserouel et al, 2011;Kauntz et al, 2012), but it has also been described the interaction of carotenoids, phenolic compounds (gallic acid, quercetin, genistein, apigenin, cyaniding, kaempferol, resveratrol, curcumin) and cycloxygenases enzymes (COX-1/COX-2) leading to the reduction of prostanoid accumulation, particularly PGE2 (Maldonado-Rojas et al, 2011;Mitjavila et al, 2012).…”