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A simple, efficient and green approach for the synthesis of spiro-dihydropyridines derivatives by one-pot multi-component reaction of isatin or acenaphthoquinone derivatives (1 equiv) with malononitrile (1 equiv) and N,N'-substituted-2-nitroethene-1,1-diamines (1 equiv) in PEG-400 under catalyst-free conditions is described. This method provides several advantages such as environmental friendliness, short reaction time, and simple workup procedure for the synthesis of biologically important compounds. The ability of synthesized compounds in inhibition of acetyl and butyrylcholinesterase were investigated both in vitro and in silico. All compounds showed moderate to high level activity against both acetyl and butyrylcholinesterase. There was a good correlation between in vitro and in silico studies.
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http://dx.doi.org/10.1016/j.bmc.2016.02.019 | DOI Listing |
Chem Biol Interact
October 2025
Department of Chemical Engineering, Military Institute of Engineering,Rio de Janeiro/RJ, Brazil.
This study is a theoretical investigation of amides derived from hardwickiic acid (HA) as potential inhibitors of human acetyl- and butyryl-cholinesterase (hAChE and hBChE) and as drug candidates against Alzheimer's Disease (AD). Twelve compounds were prepared and geometrically optimized using GaussView 5.0.
View Article and Find Full Text PDFMed Chem
June 2025
Department of Chemistry, Abdul Wali Khan University, Mardan-23200, Pakistan.
Background: Acetyl and butyrylcholinesterase are significant enzymes involved in neurological diseases, and the development of more effective inhibitors is crucial for beneficial interference.
Objective: To evaluate the cholinesterase inhibition effect of the synthetic bis-Schiff base compounds and discover the electronic properties as well as binding affinities through computational studies.
Methods: The compounds were synthesized and screened against acetyl and butyrylcholinesterase inhibitory activities in-vitro, while DFT analysis and molecular docking studies were performed for the product compounds.
Bioorg Chem
August 2025
Instituto de Química del Sur, INQUISUR (CONICET-UNS), Departamento de Química, Universidad Nacional del Sur, Avenida Alem 1253, 8000 Bahía Blanca, Argentina. Electronic address:
The urgent need for sustainable treatments for neurodegenerative disorders has led to the development of novel cholinesterase inhibitors. In this work, sixteen lactam-1,2,3-triazole hybrids were efficiently synthesized via copper nanoparticle-catalyzed click chemistry under green conditions and without additives. Most compounds exhibited good to excellent inhibition of AChE and BChE in vitro, with compound 4 m emerging as the most potent (IC₅₀ = 0.
View Article and Find Full Text PDFMolecules
April 2025
Department of Chemistry and Industrial Chemistry (DCCI), University of Genova, Via Dodecaneso 31, 16146 Genova, Italy.
Coumarin represents a privileged structural motif that is quite common in nature-derived and synthetic bioactive molecules. Some of us have recently described the straightforward preparation of complex furo[3,2-]coumarins through a sequential double coupling protocol. Aiming at finding novel chemical probes for the modulation of key anti-Alzheimer's targets, a small subset of furo[3,2-]coumarin prototypes and their non-aromatic synthetic precursors were tested in vitro as inhibitors of ChEs (acetyl- and butyrylcholinesterase, AChE and BChE) and MAOs (monoamine oxidases A and B, MAO A and MAO B).
View Article and Find Full Text PDFRSC Adv
April 2025
Pharmacognosy Department, Faculty of Pharmacy, Cairo University Kasr El Aini St, P. B. 11562 Cairo Egypt
Currently, natural products are one of the most valuable resources for discovering novel chemical medicinal entities. A total of 41 compounds were tentatively identified from the stems, barks, roots, and fruits of Labill. using UPLC-MS/MS analysis.
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