A1 Journal article (refereed)
Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors (2021)
Islam, M. S., Al-Majid, A. M., Azam, M., Verma, V. P., Barakat, A., Haukka, M., Elgazar, A. A., Mira, A., & Badria, F. A. (2021). Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors. ACS Omega, 6(47), 31539-31556. https://doi.org/10.1021/acsomega.1c03978
JYU authors or editors
Publication details
All authors or editors: Islam, Mohammad Shahidul; Al-Majid, Abdullah Mohammed; Azam, Mohammad; Verma, Ved Prakash; Barakat, Assem; Haukka, Matti; Elgazar, Abdullah A.; Mira, Amira; Badria, Farid A.
Journal or series: ACS Omega
eISSN: 2470-1343
Publication year: 2021
Publication date: 12/11/2021
Volume: 6
Issue number: 47
Pages range: 31539-31556
Publisher: American Chemical Society (ACS)
Publication country: United States
Publication language: English
DOI: https://doi.org/10.1021/acsomega.1c03978
Publication open access: Openly available
Publication channel open access: Open Access channel
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/78670
Abstract
Twenty-five new hits of spirooxindole analogs 8a–y engrafted with indole and pyrazole scaffolds were designed and constructed via a [3+2]cycloaddition (32CA) reaction starting from three components: new chalcone-based indole and pyrazole scaffolds 5a–d, substituted isatins 6a–c, and secondary amines 7a–d. The potency of the compounds were assessed in modulating cholinesterase (AChE) activity using Ellman’s method. Compounds 8i and 8y showed the strongest acetylcholine esterase inhibition (AChEI) with IC50 values of 24.1 and 27.8 μM, respectively. Molecular docking was used to study their interaction with the active site of hAChE.
Keywords: organic compounds; bioactive compounds; inhibitors
Free keywords: peptides and proteins; scaffolds; indoles; molecular mechanics; inhibition
Contributing organizations
Ministry reporting: Yes
Reporting Year: 2021
JUFO rating: 1
