Structural insights to investigate Conypododiol as a dual cholinesterase inhibitor from Asparagus adscendens.

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ID: 67567
2010
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Abstract
The main aim of the current study was to explore molecular insights for potentially new dual cholinesterase inhibitor(s) from Asparagus adscendens via molecular docking. This medicinal plant is traditionally used as a nerve tonic and remedy for memory impairments. Conypododiol was isolated from the chloroform fraction of methanolic extract of A. adscendens, based on bioactivity guided isolation. Conypododiol exhibited significant inhibition of both acetylcholinesterase and butyrylcholinesterase, having the IC(50) values 2.17 ± 0.1 μM and 11.21 ± 0.1 μM, respectively. IC(50) values of the standard compound Galanthamine for both the enzymes were 0.537 ± 0.018 μM and 8.6 ± 0.27 μM, respectively. Based on MTT cytotoxicity assay, Conypododiol was found safe against LCMK-2 monkey kidney epithelial cells and mice hepatocytes. Molecular docking studies revealed the hydrogen bonding interactions of Conypododiol with His440 and Ser200 at esteratic site (ES), and also with Tyr334 at peripheral anionic site (PAS) of the aromatic gorge of acetylcholinesterase. Simultaneous contacts of Conypododiol with PAS and ES shows its significance as a bivalent ligand. This preliminary study highlighted the potential of Conypododiol to be further developed and modified as new lead compound identified by its folk use.
Reference Key
khan2010structuralfitoterapia Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Khan, Inamullah;Nisar, Muhammad;Khan, Nematullah;Saeed, Muhammad;Nadeem, Said;Fazal-ur-Rehman, ;Ali, Farooq;Karim, Nasiara;Kaleem, Waqar Ahmad;Qayum, Mughal;Ahmad, Hanif;Khan, Ihsan Ali;
Journal Fitoterapia
Year 2010
DOI
10.1016/j.fitote.2010.06.022
URL
Keywords
alkaline phosphatase aqueous liver injury hepatoprotective in vivo carbon tetrachloride ast alp alt ccl(4) dodonaea viscosa etoac h(2)o hautriwaic acid meoh alanine aminotransferase aspartate transaminase ethyl acetate methanolic extract

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