PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 23679855-3 2013 To aid in the design of these MTDLs, we report the crystal structures of hAChE (human acetylcholinesterase) in complex with FAS-2 (fasciculin 2) and a hydroxylated derivative of huprine (huprine W), and of hBChE (human butyrylcholinesterase) in complex with tacrine. huprine 178-185 acetylcholinesterase (Cartwright blood group) Homo sapiens 73-78 24216754-2 2014 Here, we report for the first time the use of the human acetylcholinesterase (AChE) as an enzyme for the design and synthesis of new potent heterodimeric huprine-based inhibitors. huprine 154-161 acetylcholinesterase (Cartwright blood group) Homo sapiens 56-76 24216754-2 2014 Here, we report for the first time the use of the human acetylcholinesterase (AChE) as an enzyme for the design and synthesis of new potent heterodimeric huprine-based inhibitors. huprine 154-161 acetylcholinesterase (Cartwright blood group) Homo sapiens 78-82 23679855-3 2013 To aid in the design of these MTDLs, we report the crystal structures of hAChE (human acetylcholinesterase) in complex with FAS-2 (fasciculin 2) and a hydroxylated derivative of huprine (huprine W), and of hBChE (human butyrylcholinesterase) in complex with tacrine. huprine 187-194 acetylcholinesterase (Cartwright blood group) Homo sapiens 73-78 23679855-4 2013 Huprine W in hAChE and tacrine in hBChE reside in strikingly similar positions highlighting the conservation of key interactions, namely, pi-pi/cation-pi interactions with Trp86 (Trp82), and hydrogen bonding with the main chain carbonyl of the catalytic histidine residue. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 13-18 23679855-5 2013 Huprine W forms additional interactions with hAChE, which explains its superior affinity: the isoquinoline moiety is associated with a group of aromatic residues (Tyr337, Phe338 and Phe295 not present in hBChE) in addition to Trp86; the hydroxyl group is hydrogen bonded to both the catalytic serine residue and residues in the oxyanion hole; and the chlorine substituent is nested in a hydrophobic pocket interacting strongly with Trp439. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 45-50 21344648-0 2011 New huprine derivatives functionalized at position 9 as highly potent acetylcholinesterase inhibitors. huprine 4-11 acetylcholinesterase (Cartwright blood group) Homo sapiens 70-90 21344648-1 2011 A series of 24 huprine derivatives diversely functionalized at position 9 have been synthesized and evaluated for their inhibitory activity against human recombinant acetylcholinesterase (AChE). huprine 15-22 acetylcholinesterase (Cartwright blood group) Homo sapiens 166-186 21344648-1 2011 A series of 24 huprine derivatives diversely functionalized at position 9 have been synthesized and evaluated for their inhibitory activity against human recombinant acetylcholinesterase (AChE). huprine 15-22 acetylcholinesterase (Cartwright blood group) Homo sapiens 188-192 11863435-7 2002 Steady-state inhibition data show that huprine X binds to human AChE and Torpedo AChE 28- and 54-fold, respectively, more tightly than tacrine. huprine 39-46 acetylcholinesterase (Cartwright blood group) Homo sapiens 64-68 19473849-0 2009 Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. huprine 49-56 acetylcholinesterase (Cartwright blood group) Homo sapiens 78-98 19473849-1 2009 New series of Huprine (12-amino-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolines) derivatives have been synthesized and their inhibiting activities toward recombinant human acetylcholinesterase (rh-AChE) are reported. huprine 14-21 acetylcholinesterase (Cartwright blood group) Homo sapiens 180-200 19473849-1 2009 New series of Huprine (12-amino-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolines) derivatives have been synthesized and their inhibiting activities toward recombinant human acetylcholinesterase (rh-AChE) are reported. huprine 14-21 acetylcholinesterase (Cartwright blood group) Homo sapiens 205-209 11863435-7 2002 Steady-state inhibition data show that huprine X binds to human AChE and Torpedo AChE 28- and 54-fold, respectively, more tightly than tacrine. huprine 39-46 acetylcholinesterase (Cartwright blood group) Homo sapiens 81-85 11863435-9 2002 Furthermore, both tacrine and huprine X bind more tightly to Torpedo than to human AChE, suggesting that their quinoline substructures interact better with Phe330 than with Tyr337, the corresponding residue in the human AChE structure. huprine 30-37 acetylcholinesterase (Cartwright blood group) Homo sapiens 83-87 11863435-9 2002 Furthermore, both tacrine and huprine X bind more tightly to Torpedo than to human AChE, suggesting that their quinoline substructures interact better with Phe330 than with Tyr337, the corresponding residue in the human AChE structure. huprine 30-37 acetylcholinesterase (Cartwright blood group) Homo sapiens 220-224 27779818-7 2017 Furthermore, the binding free energy between the inhibitor and hAChE for hAChE/TZ5 is significantly lower than of either hAChE/huprine or hAChE/1YL. huprine 127-134 acetylcholinesterase (Cartwright blood group) Homo sapiens 63-68 10648652-0 2000 Huprine X is a novel high-affinity inhibitor of acetylcholinesterase that is of interest for treatment of Alzheimer"s disease. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 48-68 10648652-4 2000 Huprine X inhibited human AChE with an inhibition constant K(I) of 26 pM, indicating that it binds to this enzyme with one of the highest affinities yet reported. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 26-30 30181440-2 2018 AVCRI104P3 is a huprine derivative that exhibits potent inhibitory effects on human AChE, BuChE, and BACE-1 activities, as well as on AChE-induced and self-induced Abeta aggregation. huprine 16-23 acetylcholinesterase (Cartwright blood group) Homo sapiens 84-88 10648652-6 2000 The association and dissociation rate constants for huprine X with AChE were determined, and the location of its binding site on the enzyme was probed in competition studies with the peripheral site inhibitor propidium and the acylation site inhibitor edrophonium. huprine 52-59 acetylcholinesterase (Cartwright blood group) Homo sapiens 67-71 10648652-8 2000 In contrast, huprine X did form a ternary complex with propidium and AChE, although its affinity for the free enzyme was found to be 17 times its affinity for the propidium-AChE complex. huprine 13-20 acetylcholinesterase (Cartwright blood group) Homo sapiens 69-73 10648652-8 2000 In contrast, huprine X did form a ternary complex with propidium and AChE, although its affinity for the free enzyme was found to be 17 times its affinity for the propidium-AChE complex. huprine 13-20 acetylcholinesterase (Cartwright blood group) Homo sapiens 173-177 34502472-3 2021 Huprine-derived molecules have a high affinity towards the enzyme acetylcholinesterase (AChE), act as potent Abeta(1-42) peptide aggregation inhibitors, and improve the behavior of experimental animals. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 66-86 34502472-3 2021 Huprine-derived molecules have a high affinity towards the enzyme acetylcholinesterase (AChE), act as potent Abeta(1-42) peptide aggregation inhibitors, and improve the behavior of experimental animals. huprine 0-7 acetylcholinesterase (Cartwright blood group) Homo sapiens 88-92 27779818-7 2017 Furthermore, the binding free energy between the inhibitor and hAChE for hAChE/TZ5 is significantly lower than of either hAChE/huprine or hAChE/1YL. huprine 127-134 acetylcholinesterase (Cartwright blood group) Homo sapiens 73-78 27779818-7 2017 Furthermore, the binding free energy between the inhibitor and hAChE for hAChE/TZ5 is significantly lower than of either hAChE/huprine or hAChE/1YL. huprine 127-134 acetylcholinesterase (Cartwright blood group) Homo sapiens 73-78 27779818-7 2017 Furthermore, the binding free energy between the inhibitor and hAChE for hAChE/TZ5 is significantly lower than of either hAChE/huprine or hAChE/1YL. huprine 127-134 acetylcholinesterase (Cartwright blood group) Homo sapiens 73-78 27604478-2 2016 As anticipated by the initial properties of huprine, both probes displayed a high affinity and selectivity for AChE toward BChE, with IC50 values in the nanomolar range and without any non-specific binding in the tissues. huprine 44-51 acetylcholinesterase (Cartwright blood group) Homo sapiens 111-115 26502813-2 2016 Two novel enantiopure rhein-huprine hybrids ((+)-1 and (-)-1) exhibit potent inhibitory effects against human acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), BACE-1 and both Abeta and tau antiaggregation activity in vitro and reduction on the amyloid precursor protein (APP) processing in vivo. huprine 28-35 acetylcholinesterase (Cartwright blood group) Homo sapiens 110-130 26502813-2 2016 Two novel enantiopure rhein-huprine hybrids ((+)-1 and (-)-1) exhibit potent inhibitory effects against human acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), BACE-1 and both Abeta and tau antiaggregation activity in vitro and reduction on the amyloid precursor protein (APP) processing in vivo. huprine 28-35 acetylcholinesterase (Cartwright blood group) Homo sapiens 132-136