Probing the aurone scaffold against Plasmodium falciparum: Design, synthesis and antimalarial activity

Marta P. Carrasco, Ana S. Newton, Lídia Gonçalves, +9

European Journal of Medicinal Chemistry

BiochemistryAntiparasitic AgentMedicineMalariaAntimalarial Activity +6

Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders

D.E. Puleo, Kaury Kucera, Henrik M. Hammarén, +5

ACS Medicinal Chemistry Letters

Janus KinasesImmunologyMolecular BiologyChemical BiologyCancer Biology +21

Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure–activity study

Ana S. Newton, Paulo M.C. Glória, Lídia Gonçalves, +4

European Journal of Medicinal Chemistry

Molecular PharmacologyPharmaceutical ChemistryMedicineVinyl SulfonesStructure–activity Study +6

An Endoperoxide‐Based Hybrid Approach to Deliver Falcipain Inhibitors Inside Malaria Parasites

Rudi Oliveira, Ana S. Newton, Rita C. Guedes, +9

ChemMedChem

Pharmaceutical ScienceAntiparasitic AgentMalariaTetraoxane-based Delivery SystemTetraoxane Partner Compound +17

Aspartic vinyl sulfones: Inhibitors of a caspase-3-dependent pathway

Paulo M.C. Glória, Isabel Coutinho, Lídia Gonçalves, +6

European Journal of Medicinal Chemistry

MedicineAspartic Vinyl SulfonesMechanism Of ActionChemical BiologyPharmacology +1

JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules

Ana S. Newton, Luca Deiana, D.E. Puleo, +4

ACS Medicinal Chemistry Letters

Alkyl deoxy-arabino-hexopyranosides: Synthesis, surface properties, and biological activities

Filipa Silva, Margarida Goulart, Jorge Justino, +9

Bioorganic & Medicinal Chemistry

Bioorganic ChemistryBiochemistryNatural SciencesOrganic ChemistryAlkyl Deoxy-arabino-hexopyranosides +3

Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core

Maria-Elena Liosi, S.G. Krimmer, Ana S. Newton, +6

Journal of Medicinal Chemistry

Atp Binding SiteJanus KinasesMolecular BiologyPseudokinase LigandsChemical Biology +17

Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2

Kara J. Cutrona, Ana S. Newton, S.G. Krimmer, +2

Journal of Chemical Information and Modeling

PathologyMolecular BiologyChemical BiologyMedicinal ChemistryPostprocessing Method +21

Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands

Maria-Elena Liosi, Joseph A. Ippolito, Sean P. Henry, +7

Journal of Medicinal Chemistry

Signaling PathwayReceptor Tyrosine KinaseJak2 Jh2 BindersCell SignalingJak-stat Signaling Pathway +14