Xavier Lucas

Abstract B044: Targeting the “undruggable” oncogene CCNE1 using a molecular glue degrader in CCNE1 amplified cancers

William Tahaney, Yimao Liu, Ahmed Abdullah, Vittoria Massafra et autres

Abstract Using our QuEENTM molecular glue degrader (MGD) discovery engine that integrates biochemical and cellular assays with in silico modeling, we identified and optimized MGDs that induce proteasomal degradation of cyclin E1 (CCNE1) as a therapeutic strategy for CCNE1-amplified cancers. We generated …

ch (code pays fourni par la source)

Abstract PR003: Targeting the “undruggable” oncogene CCNE1 using a molecular glue degrader in CCNE1 amplified cancers

William Tahaney, Yimao Liu, Ahmed Abdullah, Vittoria Massafra et autres

Abstract Using our QuEENTM molecular glue degrader (MGD) discovery engine that integrates biochemical and cellular assays with in silico modeling, we identified and optimized MGDs that induce proteasomal degradation of cyclin E1 (CCNE1) as a therapeutic strategy for CCNE1-amplified cancers. We generated …

ch (code pays fourni par la source)

Abstract 6778: Selective targeting of CCNE1 using molecular glue degraders for the treatment of CCNE1 amplified cancers

William M. Tahaney, Yimao Liu, Ahmed Abdullah, Vittoria Massafra et autres

Abstract Cyclin E1 (CCNE1) is a critical driver of cell cycle progression and cell proliferation. It acts as the regulatory subunit for the CCNE1-CDK2 holoenzyme, which coordinates cell cycle progression through the G1/S phases and effectively drives cell proliferation via RB phosphorylation …

ch (code pays fourni par la source)

Mining the CRBN target space redefines rules for molecular glue–induced neosubstrate recognition

Georg Petzold, Pablo Gaínza, Stefano Annunziato, Ilaria Lamberto et autres

The CRL4 CRBN E3 ubiquitin ligase is the target of molecular glue degrader compounds that reprogram ligase specificity to induce the degradation of clinically relevant neosubstrate proteins. Known cereblon (CRBN) neosubstrates share a generalizable β-hairpin G-loop recognition motif that allows for the …

Índices e indicadores do Ensino Fundamental no Seridó Ocidental : bases de análises e a gestão da aprendizagem

Márcio Adriano de Azevedo, Xavier Lucas, Haulisson Jody Batista da Costa, Érika Roberta Silva de Lima

autores.

br (code pays fourni par la source)

The molecular basis of drug selectivity for α5 subunit-containing GABAA receptors

Vikram Babu Kasaragod, Tomas Malinauskas, Ayla A. Wahid, Judith A. Lengyel et autres

) receptors represent a promising drug target for neurological and neuropsychiatric disorders. Altered expression and function contributes to neurodevelopmental disorders such as Dup15q and Angelman syndromes, developmental epilepsy and autism. Effective drug action without side effects is dependent on both α5-subtype selectivity …

gb, ch (code pays fourni par la source)

Peptide conformational sampling using the Quantum Approximate Optimization Algorithm

Sami Boulebnane, Xavier Lucas, Agnes Meyder, Stanisław Adaszewski et autres

Abstract Protein folding has attracted considerable research effort in biochemistry in recent decades. In this work, we explore the potential of quantum computing to solve a simplified version of protein folding. More precisely, we numerically investigate the performance of the Quantum Approximate …

gb, ch (code pays fourni par la source)

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton et autres

Force fields form the basis for classical molecular simulations, and their accuracy is crucial for the quality of, for instance, protein-ligand binding simulations in drug discovery. The huge diversity of small-molecule chemistry makes it a challenge to build and parameterize a suitable …

be, us, gb, de, ch, cn (code pays fourni par la source)

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton et autres

OpenFF Industry Public Dataset optimized at the (1) B3LYP-D3BJ / DZVP; (2) OpenFF-2.0.0; (3) Gaff-2.11-AM1BCC; (3) OPLS4 + default parameters; (4) OPLS4 + custom parameters. For (1) the corresponding tar.gz archive contains (a) sdf files of the final, optimized geometries and (b) …

be, us, gb, de, ch, cn (code pays fourni par la source)

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton et autres

OpenFF Industry Public Dataset optimized at the (1) B3LYP-D3BJ / DZVP; (2) OpenFF-2.0.0; (3) Gaff-2.11-AM1BCC; (3) OPLS4 + default parameters; (4) OPLS4 + custom parameters. For (1) the corresponding tar.gz archive contains (a) sdf files of the final, optimized geometries and (b) …

be, us, gb, de, ch, cn (code pays fourni par la source)

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton et autres

OpenFF Industry Public Dataset optimized at the (1) B3LYP-D3BJ / TDZP; (2) OpenFF-2.0.0; (3) Gaff-2.11-AM1BCC; (3) OPLS4 + default parameters; (4) OPLS4 + custom parameters. Note: The optimization carried out with OPLS4 including both default and custom parameters was carried out using …

be, us, gb, de, ch, cn (code pays fourni par la source)

Collaborative assessment of molecular geometries and energies from the Open Force Field

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton et autres

Force fields form the basis for classical molecular simulations and their accuracy is crucial for the quality of, for instance, protein-ligand binding simulations in drug discovery. The huge diversity of small molecule chemistry makes it a challenge to build and parameterize a …

be, us, gb, de, ch, cn (code pays fourni par la source)