Phytochemical Screening, Gc-Ms Analysis, In-Silico Docking and In-Vitro Study of Hydroalcholic Extract of Leaves of Solanum Trilobatum

Abstract

Introduction
Plants have been a cornerstone of traditional medicine for centuries, offering a rich source of bioactive compounds with therapeutic potential. Solanum trilobatum, a member of the Solanaceae family, is widely used in traditional practices for its nutritional and medicinal properties. This study explores the phytochemical composition, molecular interactions, and anticancer potential of Solanum trilobatum leaves.

Objective
The study aimed to extract bioactive compounds from Solanum trilobatum leaves, identify their phytochemical constituents, analyse molecular interactions through in-silico docking, and evaluate their anticancer potential using in-vitro cytotoxicity assay.

Methods
The hydroalcoholic extract was prepared using cold maceration and subjected to phytochemical screening to identify alkaloids, flavonoids, phenols, saponins, tannins, and terpenoids. GC-MS analysis was performed to identify bioactive compounds, and in-silico docking was conducted to study their binding affinity with the active EGFR tyrosine kinase domain (PDB ID: 2GS6). In-vitro cytotoxicity was assessed on the A431 epidermoid carcinoma cell line using the MTT assay.

Results
Phytochemical screening confirmed the presence of alkaloids, flavonoids, phenols, saponins, tannins, and terpenoids. GC-MS analysis identified 15 major bioactive compounds, including Methyl propyl ether, 2-(2-Aminoethyl) pyrazine, and Lidocaine. Computational molecular docking studies revealed robust binding interactions between these compounds and the EGFR kinase domain (PDB ID: 2GS6), with campesterol exhibiting the strongest affinity (-7.8 kcal/mol). In vitro assessments on A431 epidermoid carcinoma cells demonstrated a concentration-dependent reduction in cell survival, yielding an IC₅₀ of 110 µg/ml.

Conclusion
The results highlight the plant's notable anticancer properties, positioning it as a compelling subject for future drug development studies.