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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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