Insilico Docking of Cyanidin on Molecular Proteins of Mitogen-Activated Protein Kinase (MAPK) Pathway

Abstract

Mitogen-activated protein kinase (MAPK) pathway plays a pivotal role in cell proliferation, growth and survival process. Cyanidin is a naturally occurring flavonoid with antioxidant activity, anti-inflammatory activity, anti-apoptosis activity, anti-mutagenic activity and anti-carcinogenic activity. Though a naturally occurring anthocyanins with good anticancer, antioxidant and free radical scavenging activity the mode of these action of cyanidin is poorly established. Hence we propose that cyanidin may exhibit these activities by modulating the MAPK pathway. Thus the aim of our present study was to determine the effect of cyanidin on molecular proteins of MAPK pathway by insilico docking using Auto dock 4.2. The structure of cyanidin was imported and drawn in Marvin sketch. Nearly 12 molecular proteins of MAPK pathway were docked with cyanidin using Auto dock tools 4.2 (version 1. 5. 6) software. The present study showed that out of 12 molecular proteins of the MAPK pathway, 11 molecules namely EGF, FGF, PDGF, RTK, RAS, MEK, RAF, ERK, JUN, FOS and SOS exhibited favourable binding energy above (-5kcal/mol) and formed nearly 1-3 hydrogen bonds. Cyanidin exhibited good inhibition constant of 215.32 m with 1 hydrogen bond and binding energy of -5.00kcal/mol for PDGFR. Cyanidin did not show favourable interaction with MAPK. Cyanidin modulates MAPK kinase pathway by inhibiting PDGFR and modulating EGF, FGF, PDGF, RTK, RAS, MEK, RAF, ERK, JUN, FOS and SOS. However further insilico and invitro studies are necessary to validate this claim of modulating MAPK pathway by cyanidin.