Analysis of Solanum torvum leaves: GC-MS profiling, in vitro and in vivo bioactivity assessment, in silico ADME/T predictions and molecular docking

Abstract

This research investigates the phytochemical, antioxidant, thrombolytic, and analgesic activities of the ethanolic extract from the leaves of Solanum torvum (S. torvum). 42 bioactive chemicals were identified by phytochemical screening and Gas Chromatography-Mass Spectrometry (GC-MS) analysis. The compounds included bis(2-Ethylhexyl) phthalate, hexadecanoic acid, and 2R-Acetoxymethyl-1,3,3-trimethyl-4t-(3-methyl-2-buten-1-yl)-1t-cyclohexanol. S. torvum showed potent antioxidant activity, with an IC50 value of 124.7 μg/mL, and significant thrombolytic potential, displaying 78.10% clot lysis at 1000 μg/mL. In the acetic acid-induced writhing test on Swiss Albino mice, S. torvum at a 400 mg/kg dose greatly reduced writhing by 60%, similar to diclofenac-Na (50 mg/kg). Replace additionally, molecular docking studies revealed strong binding scores of key compounds to targets such as tissue plasminogen activator and COX-2. ADME/T analysis further suggested their drug-likeness, safety, and pharmacological potential. These findings substantiate the therapeutic value of S. torvum in medicinal research and drug development. This study is novel for its integrated approach, combining phytochemical analysis, in vitro and in vivo assays, and in silico modeling. It identifies 42 compounds in S. torvum leaves, many newly reported, and demonstrates strong thrombolytic and analgesic activities, supported by molecular docking, highlighting its drug development potential