Laureano E. Carpio

Attenuating monocytic inflammaging via the miR-146a/TLR4 axis: Characterization and bioactivity of a triterpenoid-rich callus phytocomplex

Liana Cerioni, Mattia Tiboni, Noemi Pappagallo, Serena Benedetti et autres

Inflammaging, driven by monocyte dysregulation, is a hallmark of immunosenescence. Toll-like Receptor 4 (TLR4) pathway hyper-activation accelerates cellular senescence and systemic inflammatory damage, while microRNA-146a (miR-146a) constrains pro-inflammatory cytokine release by targeting IRAK-1. Plant-derived triterpenoids are promising geroprotective agents, but standardized, scalable …

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In Silico Decoding of Nonsteroidal Mineralocorticoid Receptor Antagonist Binding: Implications for Drug Design

Felipe Pérez-Gordillo, Laureano E. Carpio, Diego Álvarez de la Rosa, Mercedes Martín‐Martinez

The mineralocorticoid receptor (MR), a member of the steroid hormone nuclear receptor subfamily, mediates the effects of aldosterone and glucocorticoids. Initially characterized in epithelial tissues as a key regulator of blood pressure, MR was later found to be widely expressed across multiple …

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Pannexin1-dependent and -independent protection by novel peptidomimetics against cardiac ischemia/reperfusion injury

Malaury Tournier, Arthur Lamouroux, Laureano E. Carpio, Viviane Bes et autres

Abstract Myocardial infarction necessitates rapid reperfusion to limit ischemic damage. However, reperfusion itself exacerbates cardiomyocyte death and the inflammatory response. ATP release through pannexin1 (Panx1) channels is a key driver of leukocyte recruitment, yet most Panx1 channel inhibitors lack specificity or in …

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The binding of the salvianolic acid A to the citrullinating enzyme PADI4 as a potential treatment for cancer

Laureano E. Carpio, María Gabriela Álvarez-Rodríguez, David Recio-Moreno, Felipe Hornos et autres

Cancer cells must maintain molecular mechanisms relying on an energy trade-off between resistance and key functions to survive. PADI4 (peptidyl arginine deiminase 4) is an enzyme implicated in the conversion of arginine to citrulline (citrullination), that has been related to the development …

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Identification and Characterization of ERK2 Dimerization Inhibitors by Integrated In Silico and In Vitro Screening

Carmen Ortiz-González, Berta Casar, Rafael Gozalbes, Eva Serrano‐Candelas et autres

Protein-protein interactions (PPIs) take place in many cellular processes, including the activation of cellular cascades, such as the MAPK/ERK (Mitogen-Activated Protein Kinase/Extracellular-Regulated Kinase) pathway. Deregulation of these pathways leads to the development of diseases, such as cancer. DEL-22379 is an ERK2 dimerization …

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Computational Characterisation of Sulphate-Reducing Bacteria Inhibitors to Overcome Methanogenic Competence and Optimise Green Biogas Production

David Talavera-Cortés, Laureano E. Carpio, Patricia Serrano-Candelas, Carlos Lafita et autres

Microorganisms such as methanogenic archaea play a key role in wastewater treatment plants (WWTPs) by breaking down organic matter and pollutants and producing methane, a potential renewable energy source. However, sulphate-reducing bacteria (SRB) compete with archaea for the same substrates under anaerobic …

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Correction to “Computational Characterization of the Interaction of CARD Domains in the Apoptosome”

Rita Ortega-Vallbona, Linda C. Johansson, Laureano E. Carpio, Eva Serrano‐Candelas et autres

T he article describes the interaction between the CARD domains of APAF-1 and Caspase 9.As a hypothesis of CARD domain specificity, and a minor part of the study, crossdocking is also performed toward the interacting CARD domains of the PIDDosome, i.e., RAIDD-CARD …

S20-03 AnthroDrugs-Tox: Personalized Toxicology through Population Genetics

S. Perera del Rosario, Laureano E. Carpio, Eva Serrano‐Candelas, Laura Vilà-Valls et autres

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Silybin, silychristin and silydianin are potential novel plant-based Pannexin1 channel inhibitors

B. Yıldız, Elif İnce Ergüç, Laureano E. Carpio, Rafael Gozalbes et autres

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DPPPRED-IV: An Ensembled QSAR-Based Web Server for the Prediction of Dipeptidyl Peptidase 4 Inhibitors

Laureano E. Carpio, Marta Olivares, Rita Ortega-Vallbona, Eva Serrano‐Candelas et autres

Type 2 diabetes mellitus (T2DM) is a complex and prevalent metabolic disorder, and dipeptidyl peptidase 4 (DPP4) inhibitors have proven effective, yet the identification of novel inhibitors remains challenging due to the vastness of chemical space. In this study, we developed DPPPRED-IV, …

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DockTox: Targeting molecular initiating events in organ toxicity through molecular docking

Rita Ortega-Vallbona, David Talavera-Cortés, Laureano E. Carpio, J. Palacio et autres

Adverse Outcome Pathways (AOPs) in toxicology describe the sequence of key events from chemical exposure to adverse outcomes, facilitating the development of predictive models. The EU ONTOX project uses this framework to predict liver, developmental brain, and kidney toxicity without animal testing. …

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Computational Characterization of the Interaction of CARD Domains in the Apoptosome

Rita Ortega-Vallbona, Linda C. Johansson, Laureano E. Carpio, Eva Serrano‐Candelas et autres

The apoptosome, a critical protein complex in apoptosis regulation, relies on intricate interactions between its components, particularly the proteins containing the Caspase Activation and Recruitment Domain (CARD). This work presents a thorough computational analysis of the stability and specificity of CARD-CARD interactions …

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