Integrated Phytochemical Characterization, Nutritional Profiling, Bioactivity Evaluation and in-Silico Molecular Docking Analysis of Nigella Sativa Seed Oil and Flour Extracts

Background: Medicinal plants, particularly those exhibiting diverse biological activities, are of significant interest. Nigella sativa is utilized globally for the management of several ailments. These discoveries were inspired by the statements of the Prophet of Islam, Muhammad (SAW), who asserted that N. sativa possesses all forms of medicines except for death.
Methods: This study assesses the in-vitro antioxidant capacity of N. sativa seed oil and flour utilizing the 2,2-diphenyl-1-picrylhydrazyl (DPPH) and ferric reducing antioxidant power (FRAP) assays. The phytochemical composition, proximate analysis, and mineral content were quantitatively assessed using conventional methodologies. The anti-inflammatory activity of the seed oil extract was evaluated utilizing the carrageenan-induced paw edema model. Molecular docking studies were undertaken for insight into mechanistic evidence and structure-activity relationship.
Results: N. sativa seed oil extract possessed greater efficacy in scavenging free radicals. The phytochemicals revealed that phenol had the highest concentration. The proximate analysis indicated crude fat, fiber, and carbohydrate concentrations of 32.16%, 6.28%, and 22.78%, respectively. Among the vitamins determined, the vitamin A level of N. sativa was most significant at 284.795 ± 0.815 mg/kg, while the mineral content showed Potassium demonstrating the greatest concentration at 1170.7 ± 0.1 mg/kg. The resolution of edema during inflammation is a time-and dose-dependent process showing varying degrees of edema resolution, with group 1 exhibiting a 100% resolution rate.
Conclusions: The result suggests that N sativa seed oil contains bioactive compounds responsible for its use as an antioxidant and therapeutics. Also, administering 100% of the oil orally is superior to its combination with substances that reduce its inhibitory efficacy to around 39.6%. Docking results revealed links between bioactive compounds and diseases. This study demonstrates that the plant’s seed oils are an exceptional source of nutritional compounds due to their bioactive contents.