Phytochemical Analysis and Antioxidant Activity of Centella Asiatica Extracts: An Experimental and Theoretical Investigation of Flavonoids

Centella asiatica (CA) is a medicinal plant widely used in the East, with many of its phytoconstituents remaining unexplored. In this study, compounds were extracted and identified from C. asiatica to determine its medicinal properties. Phytochemical screening was conducted on shoot, callus, and cell suspension extracts, revealing the presence of tannins, flavonoids, terpenoids, saponins, and steroids in all three cultures, with no alkaloids detected. IC50 values were determined to evaluate the antioxidant activity of the extracts, with the highest value observed for cell suspension culture (20 µg/mL), followed by shoot culture (19 µg/mL), and then callus extract (10 µg/mL), with ascorbic acid as the standard at an IC50 value of 26.25 µg/mL. Finally, density functional theory was used to analyze the structure–activity relationships of the identified compounds from C. asiatica extract. The results suggest that ultrasonic-assisted extraction yielded the highest recovery and antioxidant activity, with a scavenging activity of 79%. This study provides valuable insights into the phytochemical composition and antioxidant potential of C. asiatica, which may have implications for its use in traditional medicine and future drug development.