Design and sustainable production of natural carbon incorporated CuO/C nanocomposite using Cyperus rotundus biomass

Priya, Duraipandi Devi; Surendra, T.V.; Shanavas, S.; Muthuraja, S.; Roopan, Selvaraj Mohana

doi:10.1007/s13399-023-04594-y

Cited by 2 publications

(1 citation statement)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The observed interactions are van der Waals, alkyl, and π-alkyl. Additionally, the sites of the interactions observed with the amino acid residues of AeSCP-2 resemble the sites described for the sterol carrier protein inhibitor-1 (SCPI-1; Arg15, Gln25, Val26, Phe32, Leu64, Leu102, Gln103, Phe105) [46] thus providing partial justification for the high affinity observed for this sesquiterpene.…”

Section: Molecular Dockingmentioning

confidence: 56%

Exploring the Larvicidal and Adulticidal Activity against Aedes aegypti of Essential Oil from Bocageopsis multiflora

Silva,

Oliveira,

França

et al. 2024

Molecules

View full text Add to dashboard Cite

This study investigates the chemical composition of the essential oil obtained from the leaves of Bocageopsis multiflora (Mart.) R.E.Fr (Annonaceae), examining its effectiveness in combating both the larvae and adult forms of Aedes aegypti mosquitoes. Additionally, for a deeper understanding of the insecticidal activity, toxicity properties and molecular docking calculations were conducted using the main compounds of this essential oil. GC/MS analysis revealed the presence of 26 constituents, representing 95.2% of the essential oil, with the major components identified as the sesquiterpenes α-selinene, β-selinene, and β-elemene. Larvicidal assays demonstrated potent activity of this essential oil with significant LC50 values of 40.8 and 39.4 μg/mL at 24 and 48 h, respectively. Adulticidal assessments highlighted strong efficacy with LC50 of 12.5 µg/mL. Molecular docking analysis identified optimal interaction activities of α-selinene and β-selinene with key Aedes proteins. The in silico studies comparing synthetic insecticides with the major sesquiterpenes of the essential oil revealed that β-selinene exhibited a significantly higher binding affinity compared to the other two sesquiterpenes. Also, ADMET studies of the three main sesquiterpenes indicated acceptable drug-like properties. In these findings, safety evaluations showed low toxicity and skin sensitization for the main sesquiterpenes, contrasting with commercial synthetic insecticides. Therefore, in silico analyses suggest promising interactions with Aedes proteins, indicating its potential as an effective alternative to conventional insecticides These results show the larvicidal and adulticidal potential of the essential oil from Bocageopsis multiflora against Aedes aegypti, supported by its predominant constituents, α-selinene, β-selinene and β-elemene.

show abstract

Section: Molecular Dockingmentioning

confidence: 56%