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Acetylcholinesterase and Cytotoxic Activity of Chemical Constituents of Clutia lanceolata Leaves and its Molecular Docking Study |
| Mehtab Parveen1, Faheem Ahmad1, Ali Mohammed Malla1, Shaista Azaz1, Mahboob Alam2, Omer A. Basudan3, Manuela Ramos Silva4, Pedro S. Pereira Silva4 |
1. Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India;
2. Division of Bioscience, Dongguk University, Gyeongju 780-714, Republic of Korea;
3. Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 4451, Saudi Arabia;
4. CFisUC, Department of Physics, University of Coimbra, 3004-516 Coimbra, Portugal |
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Abstract Phytochemical investigations of the ethanolic extract of leaves of Clutia lanceolata (Family:Euphorbiaceae) resulted in the isolation of four compounds viz. 3,4-dihydroxy-2-methylbenzoic acid (1), 2,2'-dihydroxy-1,1'-binaphthyl (2), 1,3,8-trihydroxy-6-methylanthracene-9,10-dione (3) and 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (4). Although all the isolated compounds were known but this was the first report from this plant source. Their structures were established on the basis of chemical and physical evidences viz. elemental analysis, FT-IR, 1H-NMR, 13CNMR and mass spectral analysis. Structure of compound 2 and 4 was further authenticated by single-crystal X-ray analysis and density functional theory calculations. The isolated compounds (1-4) were screened for AChE enzyme inhibition assay in which compound 3 and 4 were found to be more potent AChE inhibitor. Molecular docking study of potent AChE inhibitor was performed to find the probable binding mode of the compounds into the active site of receptor. Moreover, the isolated compounds were also screened for in vivo cytotoxicity by brine shrimp lethality assay.
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| Keywords
Clutia lanceolata
X-ray crystallography
AChE
Molecular docking
Cytotoxicity
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Issue Date: 31 January 2018
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