Antioxidant potential and molecular docking of bioactive compound of Camellia sinensis and Camellia assamica with cytochrome P450

Camellia sinensis and Camellia assamica are well known for their medicinal and therapeutic potential. The purpose of this work is to assess the flavonoid content and antioxidant potential of methanol extracts of C . sinensis (MES) and acetone extract of C . assamica (AEA) experimentally and computationally. Qualitative analysis was done to assess the presence of flavonoids. Further, the antioxidant potential of MES and AEA was done by ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid)) and superoxide free radical-scavenging activity. The profiling of functional groups was analyzed by FT-IR analysis. The bioactive compounds n-heptadecanol-1 of MES and 2′,6′-dihydroxyacetophenone, bis(trimethylsilyl) ether of AEA were procured from our previous study to analyze their antioxidant potential computationally (Auto-dock Vina). Both the extracts showed their potential to neutralize free radicals with variable potency. The study of the molecular interactions revealed that both the extracts MES and AEA interacted to the active site with higher binding energy. This work deduced that n-heptadecanol-1 and 2′,6′-dihydroxyacetophenone, bis(trimethylsilyl) ether have good potential to inhibit and scavenge the free radicals.