Potential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer’s disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors

Fatima Zahra Guerguer; Bouchra Rossafi; Oussama Abchir; Yasir S. Raouf; Dhabya Bakhit Albalushi; Abdelouahid Samadi; Samir Chtita

doi:10.1371/journal.pone.0317261

Loading metrics

Open Access

Peer-reviewed

Research Article

Potential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer’s disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors

Fatima Zahra Guerguer,

Roles Conceptualization, Data curation, Formal analysis, Writing – original draft, Writing – review & editing

Affiliation Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco
⨯
Bouchra Rossafi,

Roles Conceptualization, Visualization, Writing – original draft, Writing – review & editing

Affiliation Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco
⨯
Oussama Abchir,

Roles Conceptualization, Data curation, Writing – original draft, Writing – review & editing

Affiliation Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco
⨯
Yasir S. Raouf,

Roles Funding acquisition, Validation, Visualization

Affiliation Department of Chemistry, College of Science, United Arab Emirates University, Al Ain, United Arab Emirates

https://orcid.org/0000-0001-5142-8056

⨯
Dhabya Bakhit Albalushi,

Roles Data curation, Writing – review & editing

Affiliation Department of Chemistry, College of Science, United Arab Emirates University, Al Ain, United Arab Emirates
⨯
Abdelouahid Samadi ,

Roles Funding acquisition, Validation, Visualization

* E-mail: samadi@uaeu.ac.ae (AS); samirchtita@gmail.com (SC)

Affiliation Department of Chemistry, College of Science, United Arab Emirates University, Al Ain, United Arab Emirates
⨯
Samir Chtita

Roles Investigation, Methodology, Project administration, Resources, Software, Supervision, Validation

* E-mail: samadi@uaeu.ac.ae (AS); samirchtita@gmail.com (SC)

Affiliation Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Casablanca, Morocco

https://orcid.org/0000-0003-2344-5101

⨯

Potential Azo-8-hydroxyquinoline derivatives as multi-target lead candidates for Alzheimer’s disease: An in-depth in silico study of monoamine oxidase and cholinesterase inhibitors

Fatima Zahra Guerguer,
Bouchra Rossafi,
Oussama Abchir,
Yasir S. Raouf,
Dhabya Bakhit Albalushi,
Abdelouahid Samadi,
Samir Chtita

Published: January 30, 2025
https://doi.org/10.1371/journal.pone.0317261

Reader Comments (0)

Post a new comment on this article

Subject Areas
?

For more information about PLOS Subject Areas, click here.
We want your feedback. Do these Subject Areas make sense for this article? Click the target next to the incorrect Subject Area and let us know. Thanks for your help!

Biochemical simulations
Is the Subject Area "Biochemical simulations" applicable to this article?

Thanks for your feedback.
Protein interactions
Is the Subject Area "Protein interactions" applicable to this article?

Thanks for your feedback.
Alzheimer's disease
Is the Subject Area "Alzheimer's disease" applicable to this article?

Thanks for your feedback.
Hydrogen bonding
Is the Subject Area "Hydrogen bonding" applicable to this article?

Thanks for your feedback.
Drug interactions
Is the Subject Area "Drug interactions" applicable to this article?

Thanks for your feedback.
Enzymes
Is the Subject Area "Enzymes" applicable to this article?

Thanks for your feedback.
Density functional theory
Is the Subject Area "Density functional theory" applicable to this article?

Thanks for your feedback.
Molecular dynamics
Is the Subject Area "Molecular dynamics" applicable to this article?

Thanks for your feedback.