| Title : Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors - Shi_2013_Bioorg.Med.Chem_21_1064 |
| Author(s) : Shi DH , Huang W , Li C , Wang LT , Wang SF |
| Ref : Bioorganic & Medicinal Chemistry , 21 :1064 , 2013 |
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Abstract :
A series of aloe-emodin derivatives were designed, synthesized and evaluated as acetylcholinesterase inhibitors. Most of the new prepared compounds showed remarkable acetylcholinesterase inhibitory activities. Among them, the compound 1-((4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl) methyl) pyridin-1-ium chloride (C3) which has a pyridinium substituent possessed the best inhibitory activity of acetylcholinesterase (IC(50)=0.09 muM). The docking study performed with AUTODOCK demonstrated that C3 could interact with the catalytic active site (CAS) and the peripheral anionic site (PAS) of acetylcholinesterase. |
| PubMedSearch : Shi_2013_Bioorg.Med.Chem_21_1064 |
| PubMedID: 23380475 |
| Inhibitor | Emodin Aloe-emodin-C3 |
Shi DH, Huang W, Li C, Wang LT, Wang SF (2013)
Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors
Bioorganic & Medicinal Chemistry
21 :1064
Shi DH, Huang W, Li C, Wang LT, Wang SF (2013)
Bioorganic & Medicinal Chemistry
21 :1064