Symposium programme

Session A Chair: Francesco Di Leva

Session B Chair: Isabella Romeo

17.00-17.20 OC1

17.00-17.20 OC5

Eleonora Gianquinto (University of Torino, Italy) VIRTUAL SCREENING IDENTIFIES CROSS-CLASS INHIBITORS OF CLINICALLY RELEVANT SERINE- AND METALLO-BETA-LACTAMASES

Tommaso Felicetti (University of Perugia, Italy) EFFICIENT ONE-STEP SYNTHESIS OF DIFFERENTLY FUNTIONALIZED 1,2,4-TRIAZOLO[1,5-a]PYRIMIDINES

17.20-17.40 OC2

17.20-17.40 OC6

Maria Laura Pavone (University of Parma, Italy)

NOVEL ADJUVANT STRATEGIES TO OVERCOME ANTIMICROBIAL RESISTANCE

Maria Chiara Pismataro (University of Perugia, Italy) HYBRID SMALL MOLECULES TARGETING THE PA-PB1 INTERFACE OF INFLUENZA A VIRUS POLYMERASE

17.40-18.00 OC3

17.40-18.00 OC7

Laura Mourot (University of Strasbourg, France)

OPTIMIZATION OF A NOVEL FAST ACTING TRANSMISSION BLOCKING ANTIMALARIAL AGENT

Michela Puxeddu (University of Roma “la Sapienza” , Italy) INHIBITION OF ZIKA VIRUS REPLICATION BY NOVEL INHIBITORS OF NS2B/NS3 COMPLEX

18.00-18.20 OC4

18.00-18.20 OC8

Pasquale Linciano (University of Pavia, Italy) PHENOTYPIC AND MACHINE LEARNING APPROACHES FOR HIT TO LEAD OPTIMIZATION OF BROAD SPECTRUM NON-TOXIC ANTIPARASITIC AGENTS

Irina Stefanelli (University of Napoli, Italy)

INTEGRATING ARTIFICIAL INTELLIGENCE AND CHEMICAL SYNTHESIS TO DISCOVER NEW POTENT ANTIFLAVIVIRUS AGENTS

Session A Chair: Rita Petracca

Session B Chair: Alberto Massarotti

15.00-15.20 OC9

15.00-15.20 OC13

Claudia Albertini (University of Bologna, Italy)

TURNING CROMOLYN-IBUPROFEN DRUG COMBINATION INTO SINGLE-MOLECULE CONJUGATES POLYPHARMACOLOGICAL APPROACH FOR ALZHEIMER’S DISEASE

Rebecca Appiani  (University of Milano, Italy) BEHAVIOURAL AND PHARMACOLOGICAL PROFILES OF ZEBRAFISH ADMINISTRATED HIGH AFFINITY α4β2 NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS

 15.20-15.40 OC10

15.20-15.40 OC14

Eleonora Cescon (University of Trieste, Italy)

SCAFFOLD REPURPOSING OF AN IN-HOUSE CHEMICAL LIBRARY: IDENTIFICATION OF NEW CK1δ INHIBITORS

Davia Prischich (IBEC, Barcellona, Spain)

IN VIVO PHOTOPHARMACOLOGY OF ADRENERGIC RECEPTORS

15.40-16.00 OC11

15.40-16.00 OC15

Gabriele Carullo  (University of Siena, Italy)

HARNESSING AN EPIGENETIC APPROACH TO TREAT INHERITED RETINAL DISEASES: SYNTHESIS OF NEW HDAC INHIBITORS ACTIVE IN ZEBRAFISH MODEL OF RETINAL BLINDNESS

Costanza Ceni(University of Pisa, Italy)

NOVEL POTENT AGONISTS OF THE GPR55 RECEPTOR BASED ON THE 3-BENZYLQUINOLIN-2(1H)-ONE SCAFFOLD

16.00-16.20 OC12

16.00-16.20 OC16

Samuele Maramai(University of Siena, Italy)

SUBTYPE SELECTIVE γ-AMINOBUTYRIC ACID TYPE A RECEPTORS (GABAAR) MODULATORS ACTING AT THE BENZODIAZEPINE BINDING SITE

Gianmarco Elisi(University of Parma, Italy)

MOLECULAR DYNAMICS CHARACTERIZATION OF A LIPOPHILIC PATHWAY FOR THE UNBINDING OF MELATONIN RECEPTOR LIGANDS

Session A Chair: Marco Pieroni

Session B Chair: Paolo Rovero

17.10-17.30 OC17

17.10-17.30 OC20

Giulio Poli(University of Pisa, Italy)

NEW NONCOVALENT MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS IDENTIFIED THROUGH PHARMACOPHORE-DRIVEN VIRTUAL SCREENING STUDY

Irene Brusa(University of Bologna, Italy)

HIT OPTIMIZATION FOR THE DISCOVERY OF NOVEL RNF5 INHIBITORS AS CORRECTORS OF THE MUTANT CFTR CHLORIDE CHANNEL IN CYSTIC FIBROSIS

17.30-17.50 OC18

17.30-17.50 OC21

Nicola Gambacorta(University of Bari, Italy)

ARTIFICIAL INTELLIGENCE AND MULTIOBJECTIVE OPTIMIZATION FOR THE DE NOVO DESIGN OF TARGETED CHEMICAL LIBRARIES

Emma Baglini(University of Pisa, Italy)

NOVEL POSITIVE ALLOSTERIC MODULATORS OF A2B ADENOSINE RECEPTOR ACTING AS BONE MINERALIZATION PROMOTERS

17.50-18.10 OC19

17.50-18.10 OC22

Giorgio Amendola (University of Campania Luigi Vanvitelli, Italy)

PYRMD: USING ARTIFICIAL INTELLIGENCE TO ACCELERATE LIGAND-BASED VIRTUAL SCREENING

Alessandra Cipriano  (Winner of the “2021 Best PhD thesis” award, University of Salerno, Italy)

RATIONAL DESIGN, SYNTHESIS, AND IN VITRO EVALUATION OF CELL ACTIVE CHEMICAL PROBES FOR BROMODOMAIN-CONTAINING PROTEINS

Session A Chair: Stella Cascioferro

Session B Chair: Giannamaria Annunziato

15.00-15.20 OC23

15.00-15.20 OC27

Sara Tengattini(University of Pavia, Italy)

CHEMICAL GLYCOSYLATION OF RECOMBINANT AG85 ANTIGENS: ON THE WAY TO A NOVEL TUBERCULOSIS VACCINE

Giovanna Baron (University of Milano, Italy) METABOLOMIC, PROTEOMIC AND COMPUTATIONAL STUDIES TO EVALUATE THE LIPID-LOWERING AND ANTI-STEATOTIC EFFECTS OF POLYPHENOLS FROM BERGAMOT LEAVES

 15.20-15.40 OC24

15.20-15.40 OC28

Fosca Errante(University of Firenze, Italy)

DESIGN AND SYNTHESIS OF SARS-COV-2 ANTIGENS FOR DIAGNOSTICS AND VACCINOLOGY

Doretta Cuffaro(University of Pisa, Italy)

EXOSITE INHIBITION OF ADAMTS-5 BY A GLYCOCONJUGATED ARYLSULFONAMIDE

15.40-16.00 OC25

15.40-16.00 OC29

Rosa Bellavita (University of Napoli, Italy)

SELF-ASSEMBLED ANTIMICROBIAL PEPTIDES TO CHALLENGE RESISTANT BACTERIA

Carlo Matera (University of Milano, Italy)

DESIGN, SYNTHESIS AND PHARMACOLOGICAL CHARACTERIZATION OF A PHOTOSWITCHABLE INHIBITOR OF FOLATE METABOLISM

16.00-16.20 OC26

16.00-16.20 OC30

Lara Davani  (University of Bologna, Italy)

INVESTIGATION OF Aß PEPTIDE EFFECTS ON SH-SY5Y CELLS: A LIPIDOMIC APPROACH FOR ALZHEIMER’S DISEASE DRUG DISCOVERY

Niamh O'Mahoney (University College Cork, Ireland) CHARACTERISATION OF PHARMACEUTICAL FORMULATIONS USING BROADBAND ACOUSTIC RESONANCE DISSOLUTION SPECTROSCOPY (BARDS).

Session A Chair: Azzurra Stefanucci

Session B Chair: Michele Mari

15.00-15.20 OC31

15.00-15.20 OC34

Daniela Carbone(University of Palermo, Italy)

THIAZOLE NORTOPSENTIN ANALOGS TARGETING CANCER STEM CELLS: TOWARD THE DEVELOPMENT OF NEW ANTI-COLORECTAL CANCER AGENTS

Marta Serafini  (Winner of the “2021 Best PhD thesis” award, University of Piemonte Orientale, Italy)

TARGETING THE KYNURENINE PATHWAY WITH NEW MODALITIES: FROM A VIRTUAL SCREENING TO THE IDENTIFICATION OF TWO NOVEL IDO1 INHIBITORS

 15.20-15.40 OC32

15.20-15.40 OC35

Caterina Carraro(University of Padova, Italy)

DRUG DISCOVERY MEETS OMICS: THE CASE STUDY OF 3-CHLOROPIPERIDINES

Stefano Sainas (University of Torino, Italy)

THE INHIBITION OF HUMAN DHODH BY M433 LEADS TO DIFFERENTIATION AND APOPTOSIS IN ACUTE MYELOID LEUKEMIA

15.40-16.00 OC33

15.40-16.00 OC36

 Fàbio Pedroso de Lima (University of Minho, Portugal) 3H-CHROMENO[2,3-d]PYRIMIDIN-4(5H)-ONES - SYNTHESIS AND BIOLOGICAL EVALUATION AS ANTICANCER AGENTS

Alessandra Feoli (University of Salerno, Italy) DEVELOPMENT OF A MICROSCALE THERMOPHORESIS-BASED METHOD FOR SCREENING INHIBITORS OF THE METHYL-LYSINE READER PROTEIN MRG15