Pub. Date : 2013 Aug 1
PMID : 23791077
4 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | The commonly used beverage and psychostimulant caffeine is known to inhibit human acetylcholinesterase enzyme. | Caffeine | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 2 | Molecular modeling investigations indicate that caffeine binds primarily in the catalytic site (Ser203, Glu334 and His447) region of hAChE whereas pentoxifylline and propentofylline are able to bind to both the catalytic site and peripheral anionic site due to their increased bulk/size, thereby exhibiting superior AChE inhibition relative to caffeine. | Caffeine | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 3 | Molecular modeling investigations indicate that caffeine binds primarily in the catalytic site (Ser203, Glu334 and His447) region of hAChE whereas pentoxifylline and propentofylline are able to bind to both the catalytic site and peripheral anionic site due to their increased bulk/size, thereby exhibiting superior AChE inhibition relative to caffeine. | Caffeine | acetylcholinesterase (Cartwright blood group) | Homo sapiens |
| 4 | In summary, our study has important implications in the development of novel caffeine derivatives as selective AChE inhibitors with potential application as cognitive enhancers and to treat various forms of dementia. | Caffeine | acetylcholinesterase (Cartwright blood group) | Homo sapiens |