Chemical composition, in vitro and in silico biological activity of two Thymus L. varietes growing in Turkey.

Abstract

Thymus kotschyanus var. kotschyanus (TKK) and T. kotschyanus var. glabrescens (TKG) varietes are used as both spice and medicine by the people in Turkey. It was determined that plants’methanol extracts had the strongest antioxidant, anticholinesterase, antiurease activity and high total phenolic contents. The ethyl acetate and methanol extracts were found to have strong antimicrobial activity. Methanol extracts showed low hemolytic effect against human erythrocytes. It was determined that TKG extract showed higher anti-proliferative effect compared to TKK extract. Both plants extract significantly decreased ROS generation in cancer cells.  It was determined that chlorogenic and rosmarinic acid compounds were similar in both plants, but apigenin 7-O-neohesperidoside compound was found in higher amounts in TKK. In molecular docking studies, significant findings were obtained regarding enzyme binding affinity and ligand-enzyme interactions. According to ADMET, it was determined that the analyzed compounds were not Ames and hepatotoxicity. The findings support the traditional use of these species.