Anti-proliferative phytoconstituents from Striga angustifolia (D. Don) C.J. Saldanha – An in vitro and in silico approach

: Striga angustifolia (D.Don) C.J. Saldanha, belonging to the Orabanchaceae, is indicated to have notable beneficial properties in the traditional medicinal system of Africa. It is said that it aids in the cure of several diseases. Therefore, we aimed to characterize the chemical composition of the plant by analyzing the volatile compounds through GC-MS. The screened compounds were then tested for anticancer activity by structure-based models. : The present study focus to screen the whole plant of S. angustifolia for its essential phytoconstituents, in vitro and in silico anti-proliferative effects. : Plant metabolites was profiled and tried to explore the anti-cancer potential using both biochemical and structure-based models from plant extracts. Support regression techniques were used for strengthening the investigation. : The ethyl acetate extract showed maximum antioxidant activity and further in silico analysis revealed significant activity by the compound 1,5-naphthalenediol. The morphological changes indicated the high efficiency of the extract in arresting the proliferation of cancer cells. : This study helps in identifying distinct biomolecules from plant extracts at an early stage. It will aid in separation of potential molecules in a short span of time. Thus, eliminating the need for prolonged experimental trials. [Display omitted]