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Vol. 37 No. 8 (2025): Vol 37 Issue 8, 2025

Copyright (c) 2025 Bharat Bhushan, A. Jamal, M. S. H. Faizi, K.R. Sapkota

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Fluorescent Schiff Base Chemosensor for Selective Detection of Cu2+ Ions, DFT Analysis and Anti-Alzheimer Potential

https://doi.org/10.14233/ajchem.2025.34120
Bharat Bhushan
Department of Chemistry, M.P.S. Science College (Affiliated to B.R.A Bihar University), Muzaffarpur-843165, India
https://orcid.org/0000-0001-9787-0675
Asif Jamal
PG Department of Chemistry, L.S. College (Affiliated to B.R.A Bihar University), Muzaffarpur-842001, India
https://orcid.org/0000-0002-7203-116X
Md. Serajul Haque Faizi
PG Department of Chemistry, L.S. College (Affiliated to B.R.A Bihar University), Muzaffarpur-842001, India
https://orcid.org/0000-0002-4678-9508
Kamal Raj Sapkota
Department of Chemistry, Tribhuvan University, Prithvi Narayan Campus, Pokhara, Nepal
https://orcid.org/0009-0006-1274-6880

Corresponding Author(s) : Bharat Bhushan

bbharat.uohy@gmail.com

Asian Journal of Chemistry, Vol. 37 No. 8 (2025): Vol 37 Issue 8, 2025

Abstract

In this work, a Schiff base chemosensor (6-hydroxy-N′-(pyren-1-ylmethylene)-2-naphthohydrazide) (HL) was synthesized, which can be used for the detection of Cu2+. This shows excellent selectivity towards Cu2+ ions at pH 7.4. The association constant (Ka) of the chemosensor for binding with Cu2+ was 1.16 × 104 M–1. Using the Benesi–Hildebrand relation, the stoichiometric ratio for complexation was found to be 1:1. The DFT method, the B3LYP functional and the 6-311++G(d,p) basis set were employed to calculate the frontier molecular orbital (FMO) analysis and molecular electrostatic potential (MEP). Based on the docking investigation, the Schiff base exhibits the anti-Alzheimer capability when docked with the receptors AChE and BChE with a binding affinity of -14.6 kcal/mol and -12.7 kcal/mol, respectively. Druglike nature, medicinal chemistry friendliness, and multiple toxicological were predicted using free SwissADME software.

Keywords

Schiff base Chemosensors Hydroxy Functional group DFT method Anti-Alzheimer activity
(1)
Bhushan, B.; Jamal, A.; Faizi, M. S. H.; Sapkota, K. R. Fluorescent Schiff Base Chemosensor for Selective Detection of Cu2+ Ions, DFT Analysis and Anti-Alzheimer Potential. ajc 2025, 37, 2051-2058.
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