Synthesis and Structure–Activity Relationship of Anti-neurodegenerative Agents

Dear Colleagues,

With an ageing population, neurodegenerative diseases are a serious disability problem. Although Alzheimer's and Parkinson's diseases are the most common, Huntington's disease, amyotrophic lateral sclerosis, Lewis body dementia and frontotemporal dementia are also becoming major concerns. However, despite all the research efforts to identify new drugs for these diseases, this is an unmet need.

The synthesis and structure–activity relationship (SAR) of anti-neurodegenerative agents is a critical area of research aimed at developing compounds with therapeutic potential against neurodegeneration, neuroinflammation, mitochondrial and endoplasmic reticulum dysfunction, oxidative stress, abnormal protein misfolding and aggregation, apoptosis and microglial activation. At the same time, efforts are focused on the discovery of new molecules that promote autophagy and lysosomal activity, cell homeostasis and neuroprotection.

Researchers in this area focus on the synthesis of novel compounds with the potential to mitigate or halt the neurodegenerative processes underlying these disorders. Synthesis involves the generation of new chemical series using structure-oriented in silico approaches such as pharmacophore building, 3D target-based drug design, and AI and deep learning algorithms. This process involves the structural modification of existing compounds with therapeutic activity or the development of entirely new compounds that can effectively target specific pathways associated with the underlying mechanisms of neurodegeneration.

Structure–activity relationships (SARs) help us to understand how the molecular structure of these compounds and their systematic modifications influence their biological activity and allow the elucidation of key structural features for optimal therapeutic effects. This approach not only assists in the identification of lead compounds, but also provides valuable insights into the drug-like molecular properties underlying the in vivo efficacy of the compounds.

Ultimately, synthesis and structure–activity relationship studies contribute to the development of potential anti-neurodegenerative drugs, offering hope for improved treatment strategies and a better understanding of the intricate biochemical processes involved in these debilitating disorders. As advances in this field continue, the potential for discovering effective therapies to combat neurodegenerative diseases becomes increasingly promising.

Dr. Jose Luis Lavandera
Guest Editor

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• neurodegeneration
• neuroprotection
• neuroinflammation
• structure–activity relationship (SAR)
• therapeutic compounds
• molecular mechanisms