Shorna Das, Satyajit Roy Rony, Bidduth Kumar Sarkar, Sukalyan Kumar Kundu, Pradip Debnath
ABSTRACT Basella alba L. (Malabar spinach/Indian spinach) is a widely consumed leafy vegetable with traditional medicinal uses. This study aimed to comparatively evaluate the phytochemical composition, functional groups, bioactive constituents, molecular docking and in vitro biological activities of leaf, fruit, and stem extracts of Basella alba . Quantitative results indicated that both TPC and TFC followed the order fruit > leaf > stem, with values of 654.18 ± 7.97, 394.19 ± 4.60, 335.97 ± 6.26 mg GAE/g and 720.36 ± 13.99, 684.71 ± 16.46, 561.29 ± 5.93 mg QE/g, respectively ( p < 0.05). FTIR analysis identified functional groups such as O–H, C=C, C–N, C=O corresponding to alcohols, amines, esters, carboxylic acids etc. consistent with GC–MS profiles. GC–MS analysis identified some top major compounds, including 1‐methyl‐5‐fluorouracil (9.63%), 3‐methylquinoline (8.55%), 1‐ethyl‐1H‐pyrazole‐3,4‐diamine (6.83%) in leaf, fruit and stem extract respectively. Antioxidant assays showed that the fruit extract exhibited the strongest activity, with the lowest IC₅₀ values for DPPH (25.27 ± 1.41 μg/mL) and H 2 O 2 (44.67 ± 2.54 μg/mL), and the highest TAC (570.09 ± 27.27 mg AAE/g), followed by leaf and stem extracts ( p < 0.05), In contrast, the leaf extract exhibited the highest antidiabetic activity with IC 50 = 50.63 ± 1.93 μg/mL (α‐amylase) and 27.81 ± 1.85 μg/mL (α‐glucosidase), followed by fruit and stem extracts ( p < 0.05). Molecular docking indicated that 3‐methylquinoline from the fruit has the highest binding affinity for oxidoreductase (−8.3 kcal/mol), whereas 1H‐naphth[1,2‐d]imidazole from the leaf showed the strongest affinities for α‐amylase (−6.6 kcal/mol) and maltase‐glucoamylase (−7.1 kcal/mol), with favorable drug‐like properties. These findings support the ethnomedicinal relevence of B. alba and suggest its different parts may provide complementary therapeutic benefits.