Daniel Chavarria

Cysteine-targeting covalent inhibition: Recent trends and emerging strategies

Mariana Castelôa, Fernanda Borges, Sofia Benfeito, Daniel Chavarria

In the field of drug discovery, targeted covalent inhibitors (TCIs) have become popular due to their ability to form irreversible or reversible covalent bonds with target proteins, most frequently with cysteine. Covalent bonds offer prolonged target engagement, improved potency, and, in some …

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Development of a first-in-class homolog-selective, covalent NOX4 inhibitor

Mariana Castelôa, Sara Marchese, Marta Massari, Carla Lima et autres

The NADPH oxidase (NOX) family in humans includes seven enzymes whose main function is to produce reactive oxygen species. Because of their role in oxidative damage, these enzymes are being explored as targets for new therapies against oxidative stress-related diseases. However, their …

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Sustainable Valorization of Aloe vera Skin: Development of a New Emulgel with Anti-Inflammatory Properties

Jessica Ceramella, Elisabetta Bruno, Maria Stefania Sinicropi, Francesca R. Lupi et autres

Aloe vera is a renowned phytotherapeutic plant characterized by a highly dynamic chemical profile and endowed with a broad spectrum of biological activities. Industrial processing of A. vera focuses almost exclusively on the inner parenchyma (AG), discarding the epidermal tissue (AS) as …

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Emerging Roles of Rivastigmine Derivatives Bearing Antioxidant Motifs as Multi-Target Agents for the Management of Neurodegenerative Diseases

Inês Dias, Catarina Guerreiro-Oliveira, Inês Melo-Marques, S CARDOSO et autres

Neurodegenerative disorders (NDs), such as Alzheimer’s and Parkinson’s diseases (AD and PD), despite having different main neuropathological hallmarks, share several interconnected aetiologic mechanisms and lack effective disease-modifying treatments. The multifactorial nature of these diseases has encouraged the development of new drugs such …

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P31-01 Exploring a novel 3-Hydroxypyridin-4-one Derivative as a Disease-Modifying Drug Candidate for Parkinson's Disease

Vitória Evelen Oliveira Silva, Sofia Benfeito, I. Costa, Carla Lima et autres

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Design, synthesis, and biological activity of 2-aroylbenzofuran-3-ols and 2-aroylbenzofuran derivatives: A new route towards hMAO-B inhibition

Paolo Guglielmi, Michele Coluccia, Guya Diletta Marconi, Francesco Ortuso et autres

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Novel Au(I)- and Ag(I)-NHC Complexes with N-Boc-Protected Proline as Potential Candidates for Neurodegenerative Disorders

Jessica Ceramella, Assunta D’Amato, Francesca Procopio, Annaluisa Mariconda et autres

Neurodegenerative diseases (NDDs), including Alzheimer’s disease (AD) and Parkinson’s disease (PD), are characterized by progressive neuronal dysfunction and loss and represent a significant global health challenge. Oxidative stress, neuroinflammation, and neurotransmitter dysregulation, particularly affecting acetylcholine (ACh) and monoamines, are key hallmarks of …

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Salvia officinalis L. leaf extracts: Chemical analysis and biological studies

Jessica Ceramella, Daniel Chavarria, Domenico Iacopetta, Carlos Fernandes et autres

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The spindle assembly checkpoint: Molecular mechanisms and kinase-targeted drug discovery

Inês Lima, Fernanda Borges, Antonio R. Pombinho, Daniel Chavarria

The spindle assembly checkpoint (SAC) is a surveillance mechanism required for the fidelity of chromosome segregation, ensuring that anaphase is not initiated until all chromosomes are properly attached to the mitotic spindle. In cancer cells, SAC inactivation leads to aneuploidy beyond the …

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The role of mitochondrial dysfunction and calcium dysregulation in 2C-I and 25I-NBOMe-induced neurotoxicity

Eva Gil-Martins, Fernando Cagide, Ana Borer, Daniel José Barbosa et autres

New psychoactive substances (NPS) are designed to evade legal regulation while mimicking the effects of classic illicit drugs such as 3,4-methylenedioxymethamphetamine (MDMA). This category includes phenethylamine derivatives, such as the psychedelic 2C and NBOMe drugs. Given the lack of data regarding the …

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Modular cone-and-plate device for mechanofluidic assays in Transwell inserts

Daniel Chavarria, Kissamy A. Georges, Brian J. O’Grady, Khalid Ebraheem Hassan et autres

In this work, we present a cost effective and open-source modular cone-and-plate (MoCAP) device that incorporates shear stress in the popular Transwell® insert system. This system acts as a lid that incorporates flow into 24-well Transwell® inserts while preserving the ability to …

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Discovery of a Potent, Selective, and Blood-Brain Barrier Permeable Non-nitrocatechol Inhibitor of Catechol-O-methyltransferase

Sofia Benfeito, Bárbara Albuquerque, Lisa Sequeira, Carla Lima et autres

A new library of non-nitrocatechol compounds (HetCAMs) was developed and their efficacy was compared to tolcapone, a standard COMT inhibitor for PD. Compound 9 emerged as the most potent inhibitor, showing selective inhibition of brain (IC 50 = 24 nM) and liver …

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