5nau › Citations

Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.

Figure 1.
Figure 2.
Figure 3.
Caliandro R, Pesaresi A, Cariati L, Procopio A, Oliverio M, Lamba D
OpenAccess logo J Enzyme Inhib Med Chem 33 794-803 (2018)
Cited: 8 times
EuropePMC logo PMID: 29651884

Abstract

Acetylcholinesterase inhibitors were introduced for the symptomatic treatment of Alzheimer's disease (AD). Among the currently approved inhibitors, donepezil (DNP) is one of the most preferred choices in AD therapy. The X-ray crystal structures of Torpedo californica AChE in complex with two novel rigid DNP-like analogs, compounds 1 and 2, have been determined. Kinetic studies indicated that compounds 1 and 2 show a mixed-type inhibition against TcAChE, with Ki values of 11.12 ± 2.88 and 29.86 ± 1.12 nM, respectively. The DNP rigidification results in a likely entropy-enthalpy compensation with solvation effects contributing primarily to AChE binding affinity. Molecular docking evidenced the molecular basis for the binding of compounds 1 and 2 to the active site of β-secretase-1. Overall, these simplified DNP derivatives may represent new structural templates for the design of lead compounds for a more effective therapeutic strategy against AD by foreseeing a dual AChE and BACE-1 inhibitory activity.

Articles - 5nau mentioned but not cited (2)

  1. Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. Caliandro R, Pesaresi A, Cariati L, Procopio A, Oliverio M, Lamba D. J Enzyme Inhib Med Chem 33 794-803 (2018)
  2. Toward Simple, Predictive Understanding of Protein-Ligand Interactions: Electronic Structure Calculations on Torpedo Californica Acetylcholinesterase Join Forces with the Chemist's Intuition. Sylvetsky N. Sci Rep 10 9218 (2020)


Articles citing this publication (6)

  1. Novel Hydroxytyrosol-Donepezil Hybrids as Potential Antioxidant and Neuroprotective Agents. Costanzo P, Oliverio M, Maiuolo J, Bonacci S, De Luca G, Masullo M, Arcone R, Procopio A. Front Chem 9 741444 (2021)
  2. In-Silico Characterization and in-Vivo Validation of Albiziasaponin-A, Iso-Orientin, and Salvadorin Using a Rat Model of Alzheimer's Disease. Rasool M, Malik A, Waquar S, Tul-Ain Q, Jafar TH, Rasool R, Kalsoom A, Ghafoor MA, Sehgal SA, Gauthaman K, Naseer MI, Al-Qahtani MH, Pushparaj PN. Front Pharmacol 9 730 (2018)
  3. Chemical characterization and evaluation of the neuroprotective potential of Indigofera sessiliflora through in-silico studies and behavioral tests in scopolamine-induced memory compromised rats. Sajjad Haider M, Ashraf W, Javaid S, Fawad Rasool M, Muhammad Abdur Rahman H, Saleem H, Muhammad Muneeb Anjum S, Siddique F, Morales-Bayuelo A, Kaya S, Alqahtani F, Alasmari F, Imran I. Saudi J Biol Sci 28 4384-4398 (2021)
  4. Design, Synthesis, and Structure-Activity Relationships of Thiazole Analogs as Anticholinesterase Agents for Alzheimer's Disease. Sağlık BN, Osmaniye D, Acar Çevik U, Levent S, Kaya Çavuşoğlu B, Özkay Y, Kaplancıklı ZA. Molecules 25 E4312 (2020)
  5. Kinetic Modeling of Time-Dependent Enzyme Inhibition by Pre-Steady-State Analysis of Progress Curves: The Case Study of the Anti-Alzheimer's Drug Galantamine. Lamba D, Pesaresi A. Int J Mol Sci 23 5072 (2022)
  6. Effects of long-term Ailanthus altissima extract supplementation on fear, cognition and brain antioxidant levels. Muhammad Abdur Rahman H, Javaid S, Ashraf W, Fawad Rasool M, Saleem H, Ali Khan S, Ul-Haq Z, Muhammad Muneeb Anjum S, Ahmad T, Alqahtani F, Ur Rehman A, Imran I. Saudi Pharm J 31 191-206 (2023)


Quick links