First-time comparative investigation on Araucaria columnaris (G. Forst.) Hook. leaves: extraction techniques, phytochemicals, medicinal activities, and DFT study

Abstract

The present study was aimed to explore the phytochemical composition, antioxidant potential, and density function theory (DFT) study of Araucaria columnaris (G. Forst.) Hook. leaves. Different extraction techniques like Soxhlet, ultrasound, and maceration were performed using solvents—hexane, chloroform, and methanol. Among the three solvents, the best antioxidant values were observed in methanolic extracts followed by chloroform and hexane. The results of RP-HPLC-DAD showed the 11 polyphenolic compounds in methanolic extracts. The observed order of yield, polyphenolic content and antioxidant potential in three techniques was SOX > ULT > MCE. For the first time, 48 bioactive compounds were identified in methanol, chloroform, and hexane extracts using GC–MS technique. DFT has been carried out on major phytochemicals of methanol extract at B3LYP/6–31G (d) basis set (Gaussian 09 program). The obtained results concluded that the A. columnaris (G. Forst.) Hook. leaves contained the distinct phytochemicals having ethnopharmacological employments and significant antioxidant potential.