Marina Pedrola

Mechanistic insights into DCPIB inhibition of VRAC: Electrostatic control and binding plasticity

Héctor Gaitán‐Peñas, Salomé Llabrés, Marina Pedrola, Marc González-Subías et autres

The volume-regulated anion channel (VRAC), formed by LRRC8 heteromers, regulates cell volume and is a promising therapeutic target. DCPIB is the most widely used VRAC inhibitor, yet its binding mechanism remains poorly defined. Although structural studies suggested a role of residue R103 …

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Ni-Based Catalysts Coupled with SERP for Efficient Power-to-X Conversion

Marina Pedrola, Roger Miró, Isabel Vicente, Aitor Gual

The industrial application of CO2 methanation in Power-to-X (P2X) systems requires the development of highly active catalysts capable of operating at milder temperatures to ensure energy efficiency, while exhibiting high activity, stability and selectivity. This study reports the synthesis and optimization of …

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A Multicomponent Reaction-Based Platform Opens New Avenues in Aryl Hydrocarbon Receptor Modulation

Pau Nadal Rodríguez, Frederick Hartung, Marina Pedrola, Seemon Coomar et autres

High Resolution Image Download MS PowerPoint Slide A multidisciplinary platform is presented to address aryl hydrocarbon receptor (AhR) modulation. A rewired Yonemitsu multicomponent reaction with indole 2-carboxaldehydes and nucleophilic species was designed to access a family of 6-substituted indolocarbazoles. The conformational behavior …

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Reversible adhesives from epoxy-based transesterification-induced vitrimers

Marc Surós, David Santiago, Pere Verdugo, Marina Pedrola et autres

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Recyclable, reprocessable and reusable epoxy vitrimers adhesives

David Santiago, Pere Verdugo, Marc Surós, Marina Pedrola et autres

Efficient AntiMycolata Agents by Increasing the Lipophilicity of Known Antibiotics through Multicomponent Reactions

Angela Trejo, Carme Masdeu, Irene Serrano-Pérez, Marina Pedrola et autres

New antibiotic agents were prepared using Povarov and Ugi multicomponent reactions upon the known drugs sulfadoxine and dapsone. The prepared derivatives, with increased lipophilicity, showed improved efficiency against Mycolata bacteria. Microbiological guidance for medicinal chemistry is a powerful tool to design new …

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Streamlined Access to Novel Activators and Degraders of the Aryl Hydrocarbon Receptor through a Rewired Multicomponent Reaction

Ouldouz Ghashghaei, Frederick Hartung, Marina Pedrola, Alejandro Díaz et autres

A rewired Yonemitsu multicomponent reaction was designed to readily synthesize a family of 6-substituted indolocarbazoles. In this approach, indole 2-carboxaldehyde and nucleophilic species directly yield the final adducts through a domino reaction. The scope of the new process was analyzed, and the …

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Heterocycles as Inputs in MCRs : An Update

Ouldouz Ghashghaei, Marina Pedrola, Carmen Escolano, Rodolfo Lavilla

Multicomponent reactions have great impact on modern organic synthesis. However, the use of heterocycles as reactants in these processes is less developed. In this review, the role of representative heterocycles as inputs in multicomponent reactions is updated. We classify recent results in …

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New Trimethoprim-Like Molecules: Bacteriological Evaluation and Insights into Their Action

Marta Jorba, Marina Pedrola, Ouldouz Ghashghaei, Rocío Herráez et autres

This work reports a detailed characterization of the antimicrobial profile of two trimethoprim-like molecules (compounds 1a and 1b) identified in previous studies. Both molecules displayed remarkable antimicrobial activity, particularly when combined with sulfamethoxazole. In disk diffusion assays on Petri dishes, compounds 1a …

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CCDC 2023664: Experimental Crystal Structure Determination

Ouldouz Ghashghaei, Marina Pedrola, Francesca Seghetti, Victor V. Martin et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2019595: Experimental Crystal Structure Determination

Ouldouz Ghashghaei, Marina Pedrola, Francesca Seghetti, Victor V. Martin et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …

CCDC 2023659: Experimental Crystal Structure Determination

Ouldouz Ghashghaei, Marina Pedrola, Francesca Seghetti, Victor V. Martin et autres

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, …