In silico antidiabetic evaluation of identified compounds from callus extract of Ocimum basilicum citriodorum

Abstract

The present study aimed to evaluate the antidiabetic potential of phytochemicals derived from Ocimum basilicum citriodorum callus cultures through in silico molecular docking analysis. Plant-derived bioactive compounds continue to play a vital role in drug discovery. In vitro plant tissue culture systems, such as callus cultures, offer a sustainable and controlled approach for the production of valuable secondary metabolites. In this study, leaf explants were cultured on Murashige and Skoog (MS) medium supplemented with 1.0 mg/L α-naphthalene acetic acid (NAA) for callus induction. The regenerated callus mass was dried and used for phytochemical extraction. Qualitative tests confirmed the presence of phenolics, flavonoids, terpenoids, triterpenoids, steroids, tannins and coumarins in callus extract. Total phenolic content (TPC) and total flavonoid content (TFC) were calculated and 20 compounds were identified through GC–MS analysis. Five compounds (ethyl oleate, lupeol, friedelin, linoleic acid and stigmasterol) which have not been previously explored for antidiabetic activity against α-amylase (4W93) and α-glucosidase (3WY1) were selected for molecular docking studies. The highest binding affinity was recorded with stigmasterol (−10.3 kcal/mol), showing strong antidiabetic activity. Further in vivo testing and human trial may result in designing drug against diabetes. Thus, the findings demonstrate that callus of O. basilicum citriodorum can accumulate bioactive compounds.