Introduction: Natural products derived from plants have long been recognized as a valuable source of bioactive compounds with diverse pharmacological properties. This study focuses on the extraction, fractionation, isolation, and structure elucidation of bioactive compounds from Landoltia punctata, an aquatic weed with potential medicinal properties. Methods: The hydroalcoholic extract was fractionated and subjected to separate and purify the phytochemicals through column chromatography. Molecular docking studies were conducted to assess the potential interactions of the isolated compounds with cyclin-dependent kinase-2 (CDK2; PDBID:1DI8) and cyclin-dependent kinase 6 (CDK6; PDBID:1XO2) proteins respectively.