Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2012 Vol: 4 Issue: 3

Molecular Docking of Triazine analogues


The mitogen-activated protein (MAP) kinases a group of serine/threonine kinases function as critical mediators of signal transduction. MAP kinase causes several diseases, such as asthma osteoarthritis, rheumatoid arthritis, and chronic inflammatory autoimmune disease. Triazine analogues are inhibitor of p38 MAP kinase. Docking of MAP inhibitors are performed using AutoDock and binding energy for the inhibitors are calculated and regression equation is formed using HT29. Effect of substitution is analyzed. It is found presence of morpholino or anilino ring is essential. Some compounds are designed and their binding energy is calculated. It is seen that designed compound also inside the binding pocket.