MAPK signaling protein molecular target oi Cordia macleodii Phytochemicals for Prevention of Chronic Diseases

摘要

The mitogen-activated protein kinases (MAPKs) pathways are activated by diverse extracellular and intracellular stimuli including peptide growth factors, cytokines, hormones, and various cellular stressors such as oxidative stress and endoplasmic reticulum stress .It is extensively verified that continued oxidative stress and oxidative damage may lead to chronic inflammation, which in turn can mediate most chronic diseases including cancer, Alzheimer's disease (AD), Parkinson's disease (PD), amyotrophic lateral sclerosis (ALS) ,diabetes, cardiovascular, neurological, inflammatory bowel disease and pulmonary diseases. Current study was totally based on the screening of phytochemicals to find out the MAPKs receptor having strong binding affinity. Present study exhibited that two molecules coded cordia-l(4 5)-1 formy l-4-dihydroxy-3oxo 3-4 dihydro-2H- pyran-l-ium ) and cordia-2 (5,7-dihydroxy-2[3-hydroxy-5methyl phenyl] 2-3 dihydroxy -4H benzopyran) kushenol K, silybin, taxifolin 3-O) have successful and potential binding with the target molecule. From the results showed the interactions between MAPKs protein receptor with phytocompounds, cordia-1 showed the best glide docking score -7.9 kcal/mol and the RMSD lower 42.01 ,upper value of-68.81 kcal/ . Based on the result, the cordia-1 target were run on MD simulations stable at 10 ns. Finally, this study concludes the cordia-1 is a suitable drug candidate for MAPKs blocked pathway and reduction the super radical generation.