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


Last updated on 2022-20-09 at 13:07