Pharmacological inactivation of the prion protein by targeting a folding intermediate

Giovanni Spagnolli, Tania Massignan, Andrea Astolfi, +30

Communications Biology

Pharmacophore-Based Repositioning of Approved Drugs as Novel <i>Staphylococcus aureus</i> NorA Efflux Pump Inhibitors

Andrea Astolfi, Tommaso Felicetti, Nunzio Iraci, +8

Journal of Medicinal Chemistry

Pharmaceutical ScienceAntibiotic AdjuvantLocal PharmacologyStaphylococcus AureusPharmacotherapy +16

Pyridobenzothiazolones Exert Potent Anti-Dengue Activity by Hampering Multiple Functions of NS5 Polymerase

Rolando Cannalire, Kitti Wing Ki Chan, Maria Sole Burali, +11

ACS Medicinal Chemistry Letters

Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase

Rolando Cannalire, Delia Tarantino, Andrea Astolfi, +9

European Journal of Medicinal Chemistry

2,1-Benzothiazine 2,2-DioxidesBiochemistryNatural SciencesRna Structure PredictionAntiviral Drug Development +6

Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach

Deborah Palazzotti, Maicol Bissaro, Giovanni Bolcato, +7

International Journal of Molecular Sciences

1,2,4-Triazolo[1,5-a]pyrimidines as a Novel Class of Inhibitors of the HIV-1 Reverse Transcriptase-Associated Ribonuclease H Activity

Jenny Desantis, Serena Massari, Angela Corona, +8

Molecules

Fighting Antimicrobial Resistance: Insights on How the <i>Staphylococcus aureus</i> NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations

Deborah Palazzotti, Tommaso Felicetti, Stefano Sabatini, +4

Journal of Chemical Information and Modeling

From Serendipity to Rational Identification of the 5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one Core as a New Chemotype of AKT1 Inhibitors for Acute Myeloid Leukemia

Andrea Astolfi, Francesca Milano, Deborah Palazzotti, +8

Pharmaceutics

Discovery of potent p38α MAPK inhibitors through a funnel like workflow combining in silico screening and in vitro validation

Andrea Astolfi, Mark Kudolo, José Brea, +14

European Journal of Medicinal Chemistry

Silico ScreeningDrug TargetMedicineRational Drug DesignVitro Validation +7

p38α MAPK and Type I Inhibitors: Binding Site Analysis and Use of Target Ensembles in Virtual Screening

Andrea Astolfi, Nunzio Iraci, Stefano Sabatini, +2

Molecules

Drug TargetHit IdentificationMolecular BiologyMolecular PharmacologyComputational Biochemistry +17