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Multitargeting Agents for Alzheimer's Disease
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Multitargeting Agents for Alzheimer's Disease

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 22228

Special Issue Editors

Dr. Leonardo Pisani

E-Mail Website
Guest Editor
Department of Pharmacy-Drug-Sciences, University of Bari Aldo Moro, 70125 Bari, Italy
Interests: inhibitors of monoamine oxidases and cholinesterases; anti-amyloid agents; rational design, synthesis and biophysical characterization of multitargeting ligands against neurodegeneration; early-ADME profiling of multitarget-directed ligands (MTDLs) as neuroprotective agents; microwave-assisted organic synthesis of bioactive compounds; Alzheimer’s disease; Parkinson’s disease.
Dr. Modesto De Candia

E-Mail Website
Guest Editor
Department of Pharmacy-Pharmaceutical Sciences, University of Bari, Bari, Italy
Interests: medicinal chemistry of multitarget-directed ligands (LTDLs) targeted at neurodegeneration; design, synthesis and structure-activity relationships of new oral anticoagulants (NOACs) and antiplatelet agents; biophysical characterization of kinetics and thermodynamics of interaction with different protein targets, involved in diseases onset and drug distribution profile
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

As life-expectancy gets higher, we are experiencing a dramatically increasing burden of age-related diseases for healthcare. Among these, Alzheimer’s disease (AD) represents a devastating, ultimately fatal neurodegenerative syndrome, the effective treatment of which remains elusive. The complex, multifaceted nature of AD prompted researchers to follow a paradigm shift towards multitargeting compounds, single molecular entities intentionally designed to correct two or more relevant AD deficits upon exerting different bioactivities with cooperative or additive effect.

This Special Issue aims to provide an overview of recent studies focused on innovative approaches to treat AD by means of multifunctional molecules able to modulate multiple disease-related targets as candidates for developing disease-modifying drugs.

Original papers, short communications as well as a limited number of review articles covering (but not limited to) the following topics are welcome: rational design, synthesis and screening campaign of multimodal enzymatic inhibitors; discovery of antioxidants or metal-chelating compounds as multifunctional neuro-protectants; development of hybrid multitargeting compounds; multipotent ligands from repositioning approaches; pharmacological evaluation of pleiotropic drugs from de novo design or repurposing approaches; computational strategies for designing multitargeting small molecules; nature-derived and nature-inspired multipotent hits.

Dr. Leonardo Pisani
Dr. Modesto De Candia
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Alzheimer’s disease
  • polypharmacology
  • drug discovery
  • rational design
  • chemical synthesis
  • natural products
  • structure–activity relationships
  • multi-target-directed molecules
  • repositioning
  • neuroprotectants
  • chemoinformatics
  • molecular modeling
  • hybrid molecules
  • biological activity

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Published Papers (3 papers)

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Research

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21 pages, 6546 KiB  
Article
DAD-Net: Classification of Alzheimer’s Disease Using ADASYN Oversampling Technique and Optimized Neural Network
by Gulnaz Ahmed, Meng Joo Er, Mian Muhammad Sadiq Fareed, Shahid Zikria, Saqib Mahmood, Jiao He, Muhammad Asad, Syeda Fizzah Jilani and Muhammad Aslam
Molecules 2022, 27(20), 7085; https://doi.org/10.3390/molecules27207085 - 20 Oct 2022
Cited by 18 | Viewed by 3343
Abstract
Alzheimer’s Disease (AD) is a neurological brain disorder that causes dementia and neurological dysfunction, affecting memory, behavior, and cognition. Deep Learning (DL), a kind of Artificial Intelligence (AI), has paved the way for new AD detection and automation methods. The DL model’s prediction [...] Read more.
Alzheimer’s Disease (AD) is a neurological brain disorder that causes dementia and neurological dysfunction, affecting memory, behavior, and cognition. Deep Learning (DL), a kind of Artificial Intelligence (AI), has paved the way for new AD detection and automation methods. The DL model’s prediction accuracy depends on the dataset’s size. The DL models lose their accuracy when the dataset has an imbalanced class problem. This study aims to use the deep Convolutional Neural Network (CNN) to develop a reliable and efficient method for identifying Alzheimer’s disease using MRI. In this study, we offer a new CNN architecture for diagnosing Alzheimer’s disease with a modest number of parameters, making it perfect for training a smaller dataset. This proposed model correctly separates the early stages of Alzheimer’s disease and displays class activation patterns on the brain as a heat map. The proposed Detection of Alzheimer’s Disease Network (DAD-Net) is developed from scratch to correctly classify the phases of Alzheimer’s disease while reducing parameters and computation costs. The Kaggle MRI image dataset has a severe problem with class imbalance. Therefore, we used a synthetic oversampling technique to distribute the image throughout the classes and avoid the problem. Precision, recall, F1-score, Area Under the Curve (AUC), and loss are all used to compare the proposed DAD-Net against DEMENET and CNN Model. For accuracy, AUC, F1-score, precision, and recall, the DAD-Net achieved the following values for evaluation metrics: 99.22%, 99.91%, 99.19%, 99.30%, and 99.14%, respectively. The presented DAD-Net outperforms other state-of-the-art models in all evaluation metrics, according to the simulation results. Full article
(This article belongs to the Special Issue Multitargeting Agents for Alzheimer's Disease)
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Review

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34 pages, 3886 KiB  
Review
Advances on Therapeutic Strategies for Alzheimer’s Disease: From Medicinal Plant to Nanotechnology
by Nasser A. Hassan, Asma K. Alshamari, Allam A. Hassan, Mohamed G. Elharrif, Abdullah M. Alhajri, Mohammed Sattam and Reham R. Khattab
Molecules 2022, 27(15), 4839; https://doi.org/10.3390/molecules27154839 - 28 Jul 2022
Cited by 16 | Viewed by 6025
Abstract
Alzheimer’s disease (AD) is a chronic dysfunction of neurons in the brain leading to dementia. It is characterized by gradual mental failure, abnormal cognitive functioning, personality changes, diminished verbal fluency, and speech impairment. It is caused by neuronal injury in the cerebral cortex [...] Read more.
Alzheimer’s disease (AD) is a chronic dysfunction of neurons in the brain leading to dementia. It is characterized by gradual mental failure, abnormal cognitive functioning, personality changes, diminished verbal fluency, and speech impairment. It is caused by neuronal injury in the cerebral cortex and hippocampal area of the brain. The number of individuals with AD is growing at a quick rate. The pathology behind AD is the progress of intraneuronal fibrillary tangles, accumulation of amyloid plaque, loss of cholinergic neurons, and decrease in choline acetyltransferase. Unfortunately, AD cannot be cured, but its progression can be delayed. Various FDA-approved inhibitors of cholinesterase enzyme such as rivastigmine, galantamine, donepezil, and NDMA receptor inhibitors (memantine), are available to manage the symptoms of AD. An exhaustive literature survey was carried out using SciFinder’s reports from Alzheimer’s Association, PubMed, and Clinical Trials.org. The literature was explored thoroughly to obtain information on the various available strategies to prevent AD. In the context of the present scenario, several strategies are being tried including the clinical trials for the treatment of AD. We have discussed pathophysiology, various targets, FDA-approved drugs, and various drugs in clinical trials against AD. The goal of this study is to shed light on current developments and treatment options, utilizing phytopharmaceuticals, nanomedicines, nutraceuticals, and gene therapy. Full article
(This article belongs to the Special Issue Multitargeting Agents for Alzheimer's Disease)
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21 pages, 2291 KiB  
Review
Role of Monoamine Oxidase Activity in Alzheimer’s Disease: An Insight into the Therapeutic Potential of Inhibitors
by Tapan Behl, Dapinder Kaur, Aayush Sehgal, Sukhbir Singh, Neelam Sharma, Gokhan Zengin, Felicia Liana Andronie-Cioara, Mirela Marioara Toma, Simona Bungau and Adrian Gheorghe Bumbu
Molecules 2021, 26(12), 3724; https://doi.org/10.3390/molecules26123724 - 18 Jun 2021
Cited by 130 | Viewed by 11769
Abstract
Despite not being utilized as considerably as other antidepressants in the therapy of depression, the monoamine oxidase inhibitors (MAOIs) proceed to hold a place in neurodegeneration and to have a somewhat broad spectrum in respect of the treatment of neurological and psychiatric conditions. [...] Read more.
Despite not being utilized as considerably as other antidepressants in the therapy of depression, the monoamine oxidase inhibitors (MAOIs) proceed to hold a place in neurodegeneration and to have a somewhat broad spectrum in respect of the treatment of neurological and psychiatric conditions. Preclinical and clinical studies on MAOIs have been developing in recent times, especially on account of rousing discoveries manifesting that these drugs possess neuroprotective activities. The altered brain levels of monoamine neurotransmitters due to monoamine oxidase (MAO) are directly associated with various neuropsychiatric conditions like Alzheimer’s disease (AD). Activated MAO induces the amyloid-beta (Aβ) deposition via abnormal cleavage of the amyloid precursor protein (APP). Additionally, activated MAO contributes to the generation of neurofibrillary tangles and cognitive impairment due to neuronal loss. No matter the attention of researchers on the participation of MAOIs in neuroprotection has been on monoamine oxidase-B (MAO-B) inhibitors, there is a developing frame of proof indicating that monoamine oxidase-A (MAO-A) inhibitors may also play a role in neuroprotection. The therapeutic potential of MAOIs alongside the complete understanding of the enzyme’s physiology may lead to the future advancement of these drugs. Full article
(This article belongs to the Special Issue Multitargeting Agents for Alzheimer's Disease)
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