Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease

Alzheimer’s disease (AD) is a multi-factorial neurodegenerative disease with a complex pathomechanism that can be best treated with multi-target medications. Among the possible molecular targets involved in AD, acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) are well recognized because t...

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Main Authors: Ayesha Asim, Michał K. Jastrzębski, Agnieszka A. Kaczor
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/30/14/2975
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author Ayesha Asim
Michał K. Jastrzębski
Agnieszka A. Kaczor
author_facet Ayesha Asim
Michał K. Jastrzębski
Agnieszka A. Kaczor
author_sort Ayesha Asim
collection DOAJ
description Alzheimer’s disease (AD) is a multi-factorial neurodegenerative disease with a complex pathomechanism that can be best treated with multi-target medications. Among the possible molecular targets involved in AD, acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) are well recognized because they control the neurotransmitters responsible for memory processes. This review discusses the current understanding of AD pathology, recent advances in AD treatment, and recent reports in the field of dual AChE/MAO-B inhibitors for treating AD. We provide a classification of dual inhibitors based on their chemical structure and describe active compounds belonging to, i.a., chalcones, coumarins, chromones, imines, and hydrazones. Special emphasis is given to the computer-aided strategies of dual inhibitors design, their structure–activity relationships, and their interactions with the molecular targets at the molecular level.
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institution Kabale University
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publishDate 2025-07-01
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series Molecules
spelling doaj-art-8a69e7ca32b840a9895ff719d4e0cb6c2025-08-20T03:36:22ZengMDPI AGMolecules1420-30492025-07-013014297510.3390/molecules30142975Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s DiseaseAyesha Asim0Michał K. Jastrzębski1Agnieszka A. Kaczor2Department of Synthesis and Chemical Technology of Pharmaceutical Substances with Computer Modeling Laboratory, Faculty of Pharmacy, Medical University of Lublin, 4A Chodźki St., PL-20093 Lublin, PolandDepartment of Synthesis and Chemical Technology of Pharmaceutical Substances with Computer Modeling Laboratory, Faculty of Pharmacy, Medical University of Lublin, 4A Chodźki St., PL-20093 Lublin, PolandDepartment of Synthesis and Chemical Technology of Pharmaceutical Substances with Computer Modeling Laboratory, Faculty of Pharmacy, Medical University of Lublin, 4A Chodźki St., PL-20093 Lublin, PolandAlzheimer’s disease (AD) is a multi-factorial neurodegenerative disease with a complex pathomechanism that can be best treated with multi-target medications. Among the possible molecular targets involved in AD, acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) are well recognized because they control the neurotransmitters responsible for memory processes. This review discusses the current understanding of AD pathology, recent advances in AD treatment, and recent reports in the field of dual AChE/MAO-B inhibitors for treating AD. We provide a classification of dual inhibitors based on their chemical structure and describe active compounds belonging to, i.a., chalcones, coumarins, chromones, imines, and hydrazones. Special emphasis is given to the computer-aided strategies of dual inhibitors design, their structure–activity relationships, and their interactions with the molecular targets at the molecular level.https://www.mdpi.com/1420-3049/30/14/2975dual inhibitorsAcetylcholine Esterase (AChE)Monoamine Oxidase-B (MAO-B)molecular modelingSAR
spellingShingle Ayesha Asim
Michał K. Jastrzębski
Agnieszka A. Kaczor
Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
Molecules
dual inhibitors
Acetylcholine Esterase (AChE)
Monoamine Oxidase-B (MAO-B)
molecular modeling
SAR
title Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
title_full Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
title_fullStr Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
title_full_unstemmed Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
title_short Dual Inhibitors of Acetylcholinesterase and Monoamine Oxidase-B for the Treatment of Alzheimer’s Disease
title_sort dual inhibitors of acetylcholinesterase and monoamine oxidase b for the treatment of alzheimer s disease
topic dual inhibitors
Acetylcholine Esterase (AChE)
Monoamine Oxidase-B (MAO-B)
molecular modeling
SAR
url https://www.mdpi.com/1420-3049/30/14/2975
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AT michałkjastrzebski dualinhibitorsofacetylcholinesteraseandmonoamineoxidasebforthetreatmentofalzheimersdisease
AT agnieszkaakaczor dualinhibitorsofacetylcholinesteraseandmonoamineoxidasebforthetreatmentofalzheimersdisease