Rosemary and neem methanolic extract: antioxidant, cytotoxic, and larvicidal activities supported by chemical composition and molecular docking simulations

• DOI: 10.3389/fpls.2023.1155698
• Publication Date: 2023-05-18T07:51:20Z
• Authors: Haifa A. S. Alhai...; Mesfer M. Alqahtani; Mohamed A. Abdein; Mohamed A. I. Ahmed; Abd El-Latif Hesham; Mohammad M. E. Al...; Reem N. Al Mozini; Fatehia N. Gharsan; Suzan M. Hussien; Yasser A. El-Amier
• Keywords: larvicidal activity; antioxidant; GC/MS; docking; Plant culture; rosemary; Plant Science; neem; SB1-1110

This study aimed to employ GC-MS assess the chemical composition of MeOH leaf extracts R. officinalis and A. indica evaluate their insecticidal, antioxidant, antibacterial activities. Twelve components, representing 98.61% 100% total volatile compounds, were deduced from extracted indica, respectively, using this method. In extract, limonene is typically positioned as main component (23.03%), while chemicals identified in extract methyl (E)-octadec-13-enoate (23.20%) (2R)-1,3,8-trimethyl-4-propyl-5-ethyl-2-(1-hydroxyethyl)-7-methoxycardonylethyl-6-methylenecarbonyl-porphyrin (23.03%). Both exhibited different toxicity against stored grain pest T. castaneum, with LC50 values 1.470 2.588 mg/ml, respectively. Additionally, after 4 5 h treatment at a concentration 0.2 showed highest levels repellent action (81.4% 93.4%), good rate (64.9% 80.7%) castenum larvae. With an IC50 value 35.83 28.68 mg/L radical scavenging activity percentage 67.76% 72.35%, was found be most potent plant when tested for DPPH antioxidant activity. Overall results that more effective S. aureus than E. coli. To determine how investigated attach active sites coli DNA gyrase A undecaprenyl diphosphate synthase, docking studies carried out. The consensus score analysis exhibits best binding energy both enzymes stability molecular dynamics simulations. RMSD obtained 20.6 4.199 (Kcal/mole). two compounds successfully used simulation research generate stable complexes