Phytomolecules are multi targeted: Understanding the interlinking pathway of Antioxidant, Anti inflammatory and Anti cancer response

Phytomolecules remain to possess significant therapeutic applications in treating broad category of diseases through their antioxidant properties. Reports showed that the phytomolecules exhibiting anti-cancer activity are associated with anti-inflammatory and antioxidant properties (AAA). Hence, the aim of the study is to delineate whether “phytomolecules can exhibit multi target mediated pharmacological actions through virtual screening, and on prevention of reactive oxygen species (ROS) and hypoxia mediated stress will they mitigate anti-inflammatory response and promote apoptosis activity”. The work has been designed by selecting the known 30 anti-oxidants phytomolecules exhibiting neither of the AAA response as standards. To validate the virtual screening observation 30 phytomolecules as test compound were selected based on literature report. The phytomolecules are docked with endogenous targets related to antioxidant, inflammatory proteins and apoptosis promoting pathways. The seven targets selected were SOD, CAT, PI3, NFkb, MAPK, HIF1-α and HO-1. This initial screening results indicate multiple target mediated actions of phytomolecules and provided possible link between AAA responses. Among different scaffolds selected for the study flavones, flavonoids, and isoflavones have shown multiple interactions with the protein targets. The test phytomolecules from Psychotria plant showed better interaction with the targets compared to the standard hesperidin. The study can be concluded that the multiple actions of these phytomolecules can be considered as prophylactic molecules against AAA related disorders. Further, these phytomolecules may be beneficial against the severity of different diseases and can be used in the therapeutic management of life-threatening diseases due to their antioxidant and anti-inflammatory activities.