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International Journal of
Entomology Research
ARCHIVES
VOL. 9, ISSUE 2 (2024)
Molecular docking study of Andrographis paniculata L. compounds targeting against Anopheles mosquito acetylcholine esterase
Authors
Kohila M, Jeyalalitha T, Amutha A, Muthukumar P
Abstract
Andrographis paniculata is a popular medicinal plant, to treat various diseases for centuries worldwide. This plant contains several phytochemical compounds with distinctive biological properties. Phyto-compounds present in A. paniculata leaves extract were concluded to be Benzyl alcohol, Dibutyl Phthalate, Diethyl phthalate, 2-hydroxy-1-(hydroxymethyl) ethyl ester, Phytol, n-Hexadecanoic acid, L-Lyxose, Hexadecanoic acid, Octadecanoic acid, Dodecanoic acid, 1,3-Dioxolane and 2-Propyl-. These compounds have different biological activities based on their functional groups. Therefore, we have analysed the phyto-compound-based control of Anopheles mosquitoes, and their inhibitory action against AChE of A. stephensi was investigated using molecular docking studies through PyRx 0.8 software. AChE model was retrieved from the Uniprot database and phytocompounds sourced from A. paniculata L, were evaluated for their binding affinity. The phytocompounds binding exact site with the AChE of Anopheles mosquitoes also analysed.
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Pages:115-121
How to cite this article:
Kohila M, Jeyalalitha T, Amutha A, Muthukumar P "Molecular docking study of<i> Andrographis paniculata </i>L. compounds targeting against <i>Anopheles</i> mosquito acetylcholine esterase". International Journal of Entomology Research, Vol 9, Issue 2, 2024, Pages 115-121
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