Similarity-based Virtual Screening to Find Antituberculosis Agents based on Novel Scaffolds

Autor: Ángela García-García, Jesus Vicente de Julián-Ortiz, Jorge Gálvez, David Font, Carles Ayats, María del Remedio Guna Serrano, Carlos Muñoz-Collado, Rafael Borrás, José Manuel Villalgordo

A method is developed to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC). A structurally heterogeneous set of compounds active against MTBC was used to obtain a structural pattern model based on s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f67a9bb92c31d7a3372663afcace081

Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays

Autor: Ángela García-García, Jesus Vicente de Julián-Ortiz, Jorge Gálvez, David Font, Carles Ayats, María del Remedio Guna Serrano, Carlos Muñoz-Collado, Rafael Borrás, José Manuel Villalgordo

Publikováno v: Borrás Salvador, Rafael García García, Ángela de Julián Ortiz, Jesús Vicente Gálvez Álvarez, Jorge Font, David Ayats, Carles Guna Serrano, María del Remedio Muñoz Collado, Carlos Villalgordo, Jose Manuel 2022 Similarity-Based Virtual Screening to Find Antituberculosis Agents Based on Novel Scaffolds: Design, Syntheses and Pharmacological Assays. International Journal Of Molecular Sciences 23 23 15057
International Journal of Molecular Sciences; Volume 23; Issue 23; Pages: 15057

A method to identify molecular scaffolds potentially active against the Mycobacterium tuberculosis complex (MTBC) is developed. A set of structurally heterogeneous agents against MTBC was used to obtain a mathematical model based on topological descr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04dd32913f28d3e92e581872f91c97f6
https://doi.org/10.3390/ijms232315057

Synthesis and catalytic applications of C3-symmetric tris(triazolyl)methanol ligands and derivatives

Autor: Carles Ayats, Pablo Etayo, Miquel A. Pericàs

Publikováno v: Chemical Communications. 52:1997-2010

Recently introduced tris(1,2,3-triazol-4-yl)methanols and derivatives (TTM ligands) have become a valuable subclass of C3-symmetric tripodal ligands for transition metal-mediated reactions. TTM-based ligand architectures are modularly constructed thr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd51f1e84b1295ed91b9963c485c40de
https://doi.org/10.1039/c5cc08961a

Highly Functionalized Biaryls via Suzuki-Miyaura Cross-Coupling Catalyzed by Pd@MOF under Batch and Continuous Flow Regimes

Autor: Antonio Bermejo Gómez, Ana E. Platero-Prats, Miquel A. Pericàs, Magnus Johansson, Carles Ayats, Belén Martín-Matute, Vlad Pascanu, Peter Hansen

Publikováno v: ChemSusChem. 8:123-130

A diverse set of more than 40 highly functionalized biaryls was synthesized successfully through the Suzuki-Miyaura cross-coupling reaction catalyzed by Pd nanoparticles supported in a functionalized mesoporous MOF (8 wt% Pd@MIL-101(Cr)-NH2). This co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ed0e946abc3bb9de9fd867494cb3cda
https://doi.org/10.1002/cssc.201402858

Synthesis of enantiomeric bridgehead substituted bisnoradamantane derivatives

Autor: Santiago Vázquez, Mercè Font-Bardia, Pelayo Camps, Xavier Solans, Carles Ayats

Publikováno v: Tetrahedron. 63:8027-8036

The preparation of (+)- and (−)-12 by resolution of (±)-12 with (R)-N-phenylpantolactam, (R)-13, is described. From (+)- and (−)-12 a series of chiral bisnoradamantane derivatives, whose chirality stems from substitution at the bridgehead positi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9df03da014d7065899331811fe43479a
https://doi.org/10.1016/j.tet.2007.05.061