DOI: https://doi.org/10.55373/mjchem.v28i3.126

Keywords: Clitoria ternatea, in-vitro studies, GC-MS analysis, Mome inositol, therapeutics

Abstract

The methanolic extract of seed, leaf, and stem of C. ternatea was prepared and subsequently subjected to phytochemical screening through GC-MS analysis. GC-MS analysis of Clitoria ternatea extracts from leaves, stems, and seeds revealed presence of several phytocompounds with reported biological or pharmacological activity. Major metabolites identified include mome inositol, fatty acids, phosphoric acid, triphenyl ester, 5-Hydroxymethylfurfural (5-HMF), and furaneol. Seed extract was reported to possess maximum flavonoid and phenolic content along with highest DPPH scavenging activity. Maximum anti-inflammatory potential was exhibited by seed extract followed by leaf and stem. Protein denaturation efficiency of seed and leaf extract was found to higher compared to standard acetylsalicylic acid. Leaf and seed extract exhibited antimicrobial potential against Lysinibacillus fusiformis and Bacillus altitudinus. Interpretation from comparative phytochemical analysis of leaves, stem and seed of C. ternatea depict the potential of the plant to be utilized as source of natural antioxidant, anti-inflammatory and antimicrobial compound. The insilico study conducted. Molecular docking simulations of phytochemicals derived from extracts revealed that myo-inositol and 5-hydroxymethylfurfural (HMF) bind to AGR2 (PDB: 2LNS), IL-6 (PDB: 1ALU), and Tpp49Aa1 (PDB: 8BEZ) with binding free energies (ΔG) ranging from -6.2 to -8.1 kcal/mol. Myo-inositol exhibited stronger affinities (-7.1 to -8.1 kcal/mol) due to multiple hydrogen bonds, and HMF showed -6.2 to -7.4 kcal/mol driven by hydrophobic and π-interactions. Key interactions included polar contacts for myo-inositol with Asp406, Lys408, and Glu409 in 8BEZ and hydrophobic clustering for both ligands with Met73, Leu100, and Leu168 in 2LNS.