Programme | Esmec

SUNDAY, JUNE 30

15.00 – 18.30	Registration
19.00 – 22.00	Putting up of Posters and Dinner

MONDAY, JULY 1

09.00 – 09.20	Opening of ESMEC 2019 Gianluca SBARDELLA – President of the Medicinal Chemistry Division of the Italian Chemical Society Antoni TORRENS JOVER – Member of the Executive Committee of the European Federation for Medicinal Chemistry Marco MACCHIA – Director of the European School of Medicinal Chemistry
	“IMMUNO-ONCOLOGY: SMALL MOLECULES AND BEYOND”
	Co-chair: Gianluca PAPEO – Nerviano Medical Sciences, Nerviano (I) Tracey PIRALI – University of Piemonte Orientale (I)
09.20 – 09.30	Introduction to the Session
09.30 – 10.15	Anna MONDINO – IRCCS, San Raffaele Scientific Institute, Milan (I) Immune-oncology: recent developments and future challenges
10.15 – 11.00	Lisa KÖTZNER – Merck KGaA, Darmstadt (D) Small molecules drive big improvements in immuno‐oncology therapies
11.00 – 11.30	Coffee Break
11.30 – 12.15	Alexander DÖMLING – University of Groningen (NL) Form follows function: PD1-PDL1 from structure to mAbs to small molecules to macrocycles
12.15 – 13.00	Julio CASTRO-PALOMINO – Palobiofarma, Barcelona (ES) Challenges and opportunities of adenosine modulators in Immuno-oncology
13.00 – 15.00	Lunch
15.00 – 16.30	Case Study: Shabnam SHAABANI – University of Groningen (NL) Miniaturized, automated and accelerated chemistry
16.30 – 18.00	Case Study: Barbara VALSASINA – Nerviano Medical Sciences, Nerviano (I) Solve the jigsaw puzzle and find the best ADC
20.00	Dinner

TUESDAY, JULY 2

	“PHOTOCATALYSIS IN MEDICINAL CHEMISTRY”
	Co-chair: Stefania BUTINI – University of Siena (I) Paolo GRIECO – University of Naples (I)
09.00 – 09.15	Introduction to the Session
09.15 – 10.00	Paolo MELCHIORRE – Institute of Chemical Research of Catalonia, Tarragona (ES) Organic synthesis in the excited state
10.00 – 10.45	Geraldine MASSON – Institut de Chimie des Substances Naturelles, Gif-sur-Yvette Cedex (FR) Visible light Photoredox Catalysis as a tool for functionalization and preparation of complex organic molecules for compound library building and scale-up process
10.45 – 11.15	Coffee Break
11.15 – 12.00	Massimo OLIVUCCI – University of Siena (I) Recent progress in the “automated” simulation of the light-response of rod photoreceptors
12.00 – 12.45	Christopher N. JOHNSON – Astex Pharmaceuticals, Cambridge (UK) Photoredox catalysis and automated synthesis as new enabling tools for fragment-based drug-design
12.45 – 14.30	Lunch
14.30 – 16.00	Case Study: Paolo MELCHIORRE – Institute of Chemical Research of Catalonia, Tarragona (ES) Photoredox catalysis in medicinal chemistry endeavors Case Study: Christopher N. JOHNSON – Astex Pharmaceuticals, Cambridge (UK) Fragment based drug discovery, theory and practice
16.00 – 18.30	Chairperson: Gilberto SPADONI – University of Urbino Carlo Bo (I) Poster Session
18.00	Assemblea della sezione Giovani della Divisione di Chimica Farmaceutica della SCI
20.00	Dinner

WEDNESDAY, JULY 3

	“ARTIFICIAL INTELLIGENCE IN DRUG DISCOVERY AND DEVELOPMENT”
	Co-chair: Andrea CAVALLI – University of Bologna (I) Antonio MACCHIARULO – University of Perugia (I)
09.00 – 09.15	Introduction to the Session
09.15 – 10.00	Enzo GROSSI – Villa Santa Maria Foundation, Tavernerio (I) Big data analytics, machine learning and artificial intelligence: state of the art and future perspectives in drug discovery
10.00 – 10.45	Jürgen BAJORATH – University of Bonn (D) Data structures for compound promiscuity analysis and machine learning
10.45 – 11.15	Coffee Break
11.15 – 12.00	Alex TROPSHA – University of North Carolina, Chapel Hill, NC (USA) AI-driven design of novel, synthetically feasible bioactive compounds
12.00 – 12.45	Roberta BURSI – InSilicoTrials Technologies, Milan (I) Riding on the forward of a moving wave: perspectives on artificial intelligence in drug research and development
12.45 – 14.30	Lunch
14.30 – 15.30	Case Studies Orazio NICOLOTTI – University of Bari (I) MuSSel: a web platform for protein drug target prediction based on multi-fingerprint similarity
15.30 – 17.30	Round Table: Medicinal Chemistry: what’s next Chairman: Gabriele COSTANTINO – Past President of the Medicinal Chemistry Division – SCI, and Director of the Department of Food and Drugs, University of Parma Ives AUBERSON – President of the European Federation for Medicinal Chemistry Jurgen BAJORATH – American Chemical Society and Editor of the Journal of Medicinal Chemistry Roberto PELLICCIARI – Tes Pharma Srl, Perugia (I) Ulrike HOLZGRABE – American Chemical Society and Editor of the Journal of Medicinal Chemistry Loredana BERGAMINI – Farmindustria
20.30	Social Dinner

THURSDAY, JULY 4

	Chairperson: Antoni TORRENS JOVER – Esteve Pharmaceuticals, Barcelona (E)
09.00 – 10.00	Tiziano BANDIERA – Istituto Italiano di Tecnologia – Genova (I) Market Watch: New Drug Approval in 2018 and Synthetic Strategies
10.00 – 10.30	Coffee break
10.30 – 12.30	Chairperson: Gilberto SPADONI – University of Urbino Carlo Bo (I) Selected oral lectures by participants: – Claudia BRAGA FERNANDEZ – University of Lisbon (PT) – Federico CAPUANA – University of Turin (I) – Michael CLEGG – University of Strathclyde and GlaxoSmithKline R&D Stevenage (UK) – Daniela DOLCIAMI – University of Perugia (I) – Tuhina KHAN – University of Siena (I) – Margherita MIELE – University of Wien (A)
12.30 – 13.15	Marco MACCHIA – University of Pisa (I) – Director of the European School of Medicinal Chemistry Awards of Selected Posters Concluding Remarks
13.15	Lunch and leaving