Background: Plant-based drugs provide an outstanding contribution to modern therapeutics, and it is well known that the presence of different phytochemicals is responsible for such pharmacological effects. Carthamus tinctorius L. is one such medicinally important plant whose different solvent extracts have been reported with several pharmacological effects like antibacterial, hepatoprotective, and wound healing. The exploration of phytoconstituents from such a medicinally important plant for different pharmacological effects could produce new and effective drugs to treat human diseases.Objective: The present study attempts to explore the antibacterial and anthelmintic properties of dehydroabietylamine, a diterpene isolated from Carthamus tinctorius L. followed by the in silico elucidation of its probable mode of action.Methods: The minimum inhibition concentration (MIC) and minimum bactericidal concentration (MBC) of dehydroabietylamine were assessed against Staphylococcus aureus and Pseudomonas aeruginosa, using micro- broth dilution method. The anthelmintic activity of was determined to assess the time taken for paralysis and death of Pheretima Posthuma at different concentrations. Additionally, molecular docking study was conducted to understand the interaction between dehydroabietylamine with target proteins identified for both antibacterial and anthelmintic activity viz., glucosamine-6-phosphate synthase and β-Tubulin, respectively.Results: The dehydroabietylamine showed the significant MIC for S. aureus (12.5 μg/ml) and P. aeruginosa (6.25μg/ml), respectively. The result of anthelmintics effect of dehydroabietylamine was found to be dosedependent and compared to the standard drug, albendazole.Conclusion: The interactions of dehydroabietylamine with the two target proteins with high binding affinity indicated the probable inhibition of target proteins, which could be the cause for prominent antibacterial and antihelminthic effects.

This study aims to investigate the mechanism of natural antioxidant ferulic acid (FA) in reducing oxidative stress followed by its inhibitory effect on the Keap1-Nrf2 complex. FA was treated ex vivo with human blood for 30 min at 37 °C ± 1 °C and exposed to 1.5 Gy of γ- rays of ⁶⁰Co (0.789 Gy/min) and allowed for repair for an hour at 37 °C ± 1 °C. FA's free radical scavenging capacity was measured using 2,7-dichlorofluorescein diacetate assay and cytogenetic assays. Further, a possible mechanism of protein-ligand interaction between FA and Keap1-Nrf2 pathway protein as a cellular drug target was studied using docking and molecular dynamics simulation. The 1.5 Gy of γ- rays exposed to pre-treated blood with FA showed a significant (p < 0.05) reduction in reactive oxygen species and DNA damage compared to the normal control blood group sample. The ligand-protein transient binding interaction in molecular dynamic simulation over a period of 100 ns was consistent and stable emphasizing complementary charge between the protein and ligand, speculating higher hydrophobic amino acid residues in the Keap1 active pocket. This might sway the Keap1 from interaction with Nrf2, and could lead to nuclear translocation of Nrf2 during radiation-induced oxidative stress. The present study emphasizes the radioprotective effect of FA against 1.5 Gy of γ- rays exposed to human blood and the application of in silico approaches helpful for the possible protective effect of FA. Communicated by Ramaswamy H. Sarma