Preparation of 7-Methoxy Tacrine Dimer Analogs and Their In vitro/In silico Evaluation as Potential Cholinesterase Inhibitors
- Preparation of 7-Methoxy Tacrine Dimer Analogs and Their In vitro/In silico Evaluation as Potential Cholinesterase Inhibitors
- 나춘섭; 이상광; 박민균; 장호은; 이진주; 남기평; 조대원; K. Musilek[K. Musilek]; A. Horova[A. Horova]; J. Korabecny[J. Korabecny]; R. Dolezal[R. Dolezal]; D. Jun[D. Jun]; K. Kuca[K. Kuca]
- ALZHEIMERS-DISEASE; BIOLOGICAL EVALUATION; CONTROLLED-TRIAL; AMYLOID-BETA; ACETYLCHOLINESTERASE; THERAPY; HYBRIDS
- Issue Date
- WILEY-V C H VERLAG GMBH
- BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.36, no.6, pp.1654 - 1660
- Novel types of symmetric bis-7-methoxytacrines connected by oligoethyleneoxy chains 3-5 and nonsymmetric monomeric 7-methoxytacrines containing hydroxyl-terminated oligoethyleneoxy chains 6-8 were prepared, and their in vitro/in silico effects on human recombinant AChE (hAChE) and human plasmatic butyrylcholinesterase (hBChE) were compared, with 7-MEOTA (2) as the standard compound. The symmetric bis-7-MEOTA derivatives 3-5 showed hAChE inhibition similar to that of 2. On the other hand, their effects on hBChE revealed an increasing inhibition trend when the oligoethyleneoxy units between the two 7-MEOTA moieties became longer. Accordingly, compounds 4 and 5 showed better selectivity towards hBChE. The most effective in the inhibition hAChE and hBChE was compound 8 with the longest oligoethyleneglycol chain, whereas compounds 6 and 7 resulted in similar IC50 values. A molecular modeling study using substrates 5 and 8 showed a possible binding conformation and protein-ligand interaction between the substrates and AChE/BChE.
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