In silico analysis of Trichosanthes lobata extracts: A promising source of antioxidants for therapeutic applications

Abstract

Introduction and Aim: Trichosanthes lobata is one of the species which belongs to Chinese traditional medicine for the therapeutic purpose of antioxidant properties. Free radicals’ production by the body has numerous beneficial roles including in immune systems, cellular signaling pathways, mitogenic response, and synthesis of cellular structures. This study aimed to evaluate the therapeutic efficacy of the T. lobata secondary metabolites toward COX proteins and validate their antioxidant potential.   Materials and Methods: We extracted the plant using Soxhlet and subjected it to various assays like DPPH and TEAC, followed by in silico analysis. The molecular docking and dynamic simulation have been analyzed with respect to the protein of interest against selected phytochemicals from T. lobata.   Results: We observed the significant outcome from DPPH and TEAC assays like reducing the capability in contrast to T. lobata followed by docking and dynamic stability.   Conclusion: The current findings have unveiled that the investigated flora, namely T. lobata, is a bastion of secondary phytochemicals. The plant's exceptional antioxidant capacity is attributable to the occurrence of one or more of these secondary metabolites, which exert their respective or synergistic effects.