Extensive SAR and Computational Studies of 3-{4-[(Benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) Derivatives
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- 作者：Lorna Piazzi ; Andrea Cavalli ; Federica Belluti ; Alessandra Bisi ; Silvia Gobbi ; Stefano Rizzo ; Manuela Bartolini ; Vincenza Andrisano ; Maurizio Recanatini ; Angela Rampa
- 刊名：Journal of Medicinal Chemistry
- 出版年：2007
- 出版时间：August 23, 2007
- 年：2007
- 卷：50
- 期：17
- 页码：4250 - 4254
- 全文大小：111K
- 年卷期：v.50,no.17(August 23, 2007)
- ISSN：1520-4804
文摘
AP2238 was the first compound published to bind both anionic sites of the human acetylcholinesterase,allowing the simultaneous inhibition of the catalytic and the amyloid-
pro-aggregating activities of AChE.Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule,affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compoundswere also tested for their ability to prevent the AChE-induced A-aggregation. Moreover, docking simulationsand molecular orbital calculations were performed.
pro-aggregating activities of AChE.Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule,affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compoundswere also tested for their ability to prevent the AChE-induced A-aggregation. Moreover, docking simulationsand molecular orbital calculations were performed.