Larvicidal and Dengue Virus Inhibitory Potential of Terpenoids from Bryophyllum Pinnatum: An in-Silico Study
Funmilayo G. Famuyiwa, Ayobami J. Olusola, Jeremiah P. Ugwo, Susan B. Akinyuwa, Glory M. Arowojolu, Ayomide B. Alimi, Moses O. Akinjiyan, Adesewa P. Bolaji, Oluwapelumi E. Ekundayo, Catherine O. Ajibola, Kolade O. Faloye
Journal of Applied Life Sciences International · pp. 71–87 · Published 2 Sep 2025
10.9734/jalsi/2025/v28i5715Abstract
Aim: Bryophyllum pinnatum is a medicinal plant used in the treatment of malaria and viral infection. This study investigates the larvicidal and dengue virus inhibitory potential of B. pinnatum phytoconstituents through computational approaches. Methodology: A library of terpenoids from B. pinnatum was constructed. Molecular docking was performed against Aedes aegypti, dengue NS5 polymerase and NS2B/NS3 protease followed by 150 ns molecular dynamics simulation. Results: 24-ethyl-desmosterol (-10.6 kcal/mol) and clerosterol (-10.5 kcal/mol) were identified as hit molecule against Aedes aegypti, taraxasterol (-9.7 kcal/mol) and bryophynol (-9.6 kcal/mol), and 25-Methylstigmast-24(28)-enol (-8.9 kcal/mol) and clerosterol (-8.9 kcal/mol). The 150 ns simulation of the complexes showed that the chemical compounds are considerably stable. The binding affinity and interactions established by the 24-ethyl-desmosterol and clerosterol agaist Aedes aegypti, taraxasterol and bryophynol against NS5 polymerase, and 25-Methylstigmast-24(28)-enol and clerosterol against NS2B/NS3 protease showed that the chemical constituent possesses promising therapeutic efficacy against the spread of dengue virus. Conclusion: The terpenoids from Bryophyllum pinnatum possesses larvicidal and dengue virus inhibitory potential.
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