Structural stability of SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening

Olga Abián, David Ortega-Alarcón, Ana Jiménez-Alesanco, +5

International Journal of Biological Macromolecules

Medicinal ChemistryBiochemistryMedicineStructural StabilityNatural Sciences +8

Identification of a Drug Targeting an Intrinsically Disordered Protein Involved in Pancreatic Adenocarcinoma

José L. Neira, Jennifer Bintz, María Pilar Arruebo, +7

Scientific Reports

Drug TargetEngineeringPathologyTumor BiologyIntact Idp +14

Ligand-based design identifies a potent NUPR1 inhibitor exerting anticancer activity via necroptosis

Patricia Santofimia‐Castaño, Yi Xia, Wenjun Lan, +9

Journal of Clinical Investigation

Drug TargetApoptosisCell DeathTfp-derived CompoundsChemical Biology +19

Multiple binding modes of ibuprofen in human serum albumin identified by absolute binding free energy calculations

Stefania Evoli, David L. Mobley, Rita Guzzi, +1

Physical Chemistry Chemical Physics

Pharmaceutical ScienceEngineeringAlbumin PossessesBioanalysisAnalytical Chemistry +16

Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs

Bruno Rizzuti, Fedora Grande, Filomena Conforti, +7

Biomedicines

Identification by Molecular Docking of Homoisoflavones from Leopoldia comosa as Ligands of Estrogen Receptors

Fedora Grande, Bruno Rizzuti, Maria Antonietta Occhiuzzi, +6

Molecules

Seleno-Functionalization of Quercetin Improves the Non-Covalent Inhibition of Mpro and Its Antiviral Activity in Cells against SARS-CoV-2

Francesca Mangiavacchi, Paweł Botwina, Elena Menichetti, +19

International Journal of Molecular Sciences

Intrinsically disordered chromatin protein NUPR1 binds to the C-terminal region of Polycomb RING1B

Patricia Santofimia‐Castaño, Bruno Rizzuti, Ángel L. Pey, +5

Proceedings of the National Academy of Sciences

C-terminal RegionEpigenetic ChangeMolecular BiologyCancer BiologyEpigenetics +24

ZZW-115–dependent inhibition of NUPR1 nuclear translocation sensitizes cancer cells to genotoxic agents

Wenjun Lan, Patricia Santofimia‐Castaño, Mirna Swayden, +16

JCI Insight

Reductive StressGenome InstabilityOncogenic AgentMedicineNupr1 Nuclear Translocation +13

Early stage aggregation of human serum albumin in the presence of metal ions

Andrea Stirpe, Manuela Pantusa, Bruno Rizzuti, +3

International Journal of Biological Macromolecules

Metal IonsBiochemistryNatural SciencesMetalloproteinBioanalysis +10