Evaluation of the Drug-like Properties of Kaempferol, Chrysophanol and Emodin and their Interactions with EGFR Tyrosine Kinase - An in silico Approach

Abstract

In this study, a molecular docking was performed on EGFR tyrosine kinase with plant phenolic compounds kaempferol, chrysophanol and emodin; identified from Cassia tora, an edible plant employed for eye diseases traditionally. The results illustrated that all the compounds have strong binding abilities with epidermal growth factor receptor and validated the reported anticataractogenic potential of C. tora leaves. Further, the compounds also satisfied the criteria for being a drug through its structural features. Taken together, it was proposed that the compounds; kaempferol, chrysophanol and emodin might be helpful for further drug design and development and could be employed as efficient lead compounds in ophthalmic drug formulations.