COMBINED ACTION OF RESVERATROL AND CARNOSOL ON DOWN REGULATION OF NF-ΚB: A COMPUTATIONAL STUDYJournal: Journal of Bioinformatics, Proteomics and Imaging Analysis (Vol.2, No. 1)
Publication Date: 2016-02-04
Authors : Madhusudana Pulaganti;
Page : 1-9
Keywords : NF-ÎºB; Carnosol; Resveratrol; AUTODOCK 4.0; HEX; PROCHECK; WHAT IF; PROSA2003;
?Carnosol and resveretrol are two natural compounds with potent antioxidant activity. These two are at various stages of research independently on various types of cancer. Till the time many of researchers used carnosol and resveretrol for cancer comprehensiveness by targeting NF-κB. But the combinational use of compounds in research is limited, at present number of researchers are focusing on combinational use of compounds in research towards the increase in rate of success in control of various diseases. In this manuscript we made an attempt to down regulate the NF-κB progression in anti-apoptotic signals with carnosol and resveratrol. Various bioinformatics tools have been used including Autodock4.0, HEX, PROCHECK, PROSA, WHAT-IF etc. As per our findings P50 monomer has best binding interaction with carnosol by providing negative charge of - 6.15 K cal/mol, than that of binding charge of resveretrol having - 1.5 K cal/mol. Similarly in case of p65 the binding charges of carnosol and resveretrol are - 3.10 K cal/mol and - 0.89 K cal/mol respectively indicates that p65 has less affinity than that of p50 towards carnosol. Similar we workout on p65-p50 (NF-κB) dimer and with complex docking with DNA. We noticed when monomers escaped in binding, carnosol and resveratrol complex has more affinity to get bind with p65-p50 dimer with total binding energy of - 9.73. Finally we find out the order of inhibition of p65-p50 resveretrol-carnosol complex when docked with DNA. This clearly showed that use of combinational phytophenols may decrease the dose of natural phytophenols and increase the potency of their activity.
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