Exploring the therapeutic promise of Trichodesma indicum: A phytochemical, antioxidant, and in silico insights into anti-arthritis properties

Abstract

The present study provides a comprehensive phytochemical and pharmacological evaluation of Trichodesma indicum methanolic leaf extract, highlighting its potential as a source of bioactive compounds with significant antimicrobial, antioxidant, and anti-arthritic properties. The extract's total phenolic content was quantified as 2.28 μg gallic acid equivalents (GAE) per gram of dry weight. In contrast, total flavonoid content was measured at 2.48 μg quercetin equivalents (QE) per gram. The extract exhibited potent antioxidant activity through DPPH, ABTS, and FRAP assays. DPPH radical scavenging assay revealed concentration-dependent antioxidant activity for the methanolic extract (25–150 μg/mL), with inhibition percentages ranging from 10.69 ± 0.7 % to 45.65 ± 0.7 %. Ascorbic acid, used as a standard, exhibited comparable inhibition (17.16 ± 0.6 % to 49.18 ± 0.6 %). ABTS radical scavenging assays further confirmed the extract's antioxidant potential, showing 36.79 ± 0.6 % inhibition at 100 μg/mL, marginally exceeding ascorbic acid (35.82 ± 0.5 %). Ferric reducing antioxidant power (FRAP) assays indicated dose-dependent activity, with the extract reducing Fe³⁺ at 39.80 ± 0.4 % (25 μg/mL) to 54.55 ± 0.5 % (100 μg/mL), closely mirroring ascorbic acid (52.93 ± 0.5 % to 61.91 ± 0.6 %) along with antibacterial effects against five pathogens, with inhibition zones ranging from 13 to 26 mm. Functional group analysis via FT-IR confirmed the presence of diverse bioactive constituents, while HR-LCMS identified 72 phytocompounds (35 in positive ionization; 37 in negative ionization) which 52 passed ADMET screening, most exhibited good solubility (−2.336 to −4.539 log units) and blood-brain barrier penetration indicating their potential pharmacokinetic suitability. Molecular docking studies further validated the therapeutic potential of these compounds, with Grossamide (PubChem ID: 101262727) demonstrating the highest binding affinity against both antibacterial (LibDock score: 173.57 shown as E. coli; GyrB) and anti-arthritic, Sphinganine (PubChem ID: 91486) exhibiting multi-interaction binding modes of (LibDock score: 169.42; 6COX) and Grossamide (LibDock score: 201.94; 8K5V) as lead candidates, Thus, T. indicum promising bioactive molecules that could serve as effective candidates for antimicrobial and anti-arthritic drug development.