Welcome to the Structure-Based Drug Discovery symposium and course on Fragment Based Lead Discovery!

When: September 18–22, 2023

Where: LINXS and MAX IV, Lund, Sweden (with digital possibility)

• Registration & Cost

  How to apply for the full course?

  PhD students and postdocs can apply for the full course. The application should be submitted via the provided application form and include a motivational letter (max 1 page) explaining of how the course would be beneficial for the your studies and research project. The selected candidates will be notified by e-mail.

  Please note that registration fees include attendance for the symposium and the lecture part of the FBLD course.

  Registration: It is possible to register to attend:

  • Symposium only, 18/9

  • Symposium and two days of lectures, 18-20/9

  • Full course, 18-22/9 (selected PhD students and Post-docs via application). If you wish to attend the full course, please see specific instructions below.

  • ONLINE only, Symposium + 2 days of lectures

  Cost:

  • Symposium only: 1500SEK non-students/1000SEK students*

  • Symposium & 2 days of course: 2000SEK non-students/1500SEK students*

  • Full course: 2000SEK non-students/1500SEK students*

  • Online only Symposium + 2 days of course: 1000SEK non-students/750SEK students*

  *Students: Master’s and PhD Students

  Important deadlines:

  • Maximum capacity is reached in the LINXS lecture hall. Registration closed.

• Description

  Symposium 18/9

  The symposium aims to provide an overview of the current situation, challenges and future perspectives within structure-based drug discovery. The program gathers keynote talks by eminent speakers, from both academia and the pharmaceutical industry, covering all the areas of structure - based drug design with special focus on FBLD. We hope that the symposium will attract interest of the scientific community within various relevant areas including structural biology, pharmacology, computational and medicinal chemistry. The symposium is open for registration to all scientists.

  FBLD Course 19-22/9

  Lectures 19-20/9

  Practicals 21-22/9 only for selected participants in the full course

  The course on FBLD will begin with two days of lectures at LINXS, followed by two days of practical work at MAX IV Laboratory and LINXS. The lectures 19-20/9 are open to everyone who wants to learn more about practical aspects of FBLD, whereas the practical is intended for early career scientists.

  Course goals

  • To have an understanding of the methods used in modern drug discovery and how different methods are combined

  • To have an understanding of different strategies in drug design

  • To get familiar with various methods in obtaining structural data of protein-ligand complexes, especially X-ray crystallography

  • To get familiar with the MX beamline operation

  • To get familiar with fragment screening and ligand identification

  • To be able to critically evaluate structural data and to draw conclusions of the results

  Who can benefit from the course?

  The course is aimed at PhD students, postdocs, and early-career scientists who are broadly working within the area of structure-based drug discovery and who want to learn more about fragment screening, FBLD, and how they can use MAX IV Laboratory and other infrastructures to drive their research using structural data.

• Programme

  SBDD symposium

  Monday, September 18th

  9:00–17:00 at LINXS, dinner 18:30–21:00

  Program

  9:00–9:15 Welcome

  9:15–10:00 “Current Perspectives in Fragment-Based Lead Discovery”, Roderick Hubbard, University of York

  10:00–10:45 “Structure-Based Drug Design for Protein and RNA Targets for Antibiotics”, Ruth Brenk, University of Bergen

  10:45–11:00 Coffee

  11:00–11:45 “Fragment-Based Virtual Screening in Vast Chemical Space”, Jens Carlsson, Uppsala University

  11:45–12:30 “Structure-Guided Approach for selective modulation of CaMKIIa“, Bente Frølund, University of Copenhagen

  12:30–13:30 Lunch

  13:30–14:15 “Hit identification and med chem optimization using DEL technology platform”, Sanne Glad, Amgen

  14:15–15:00 “Chemical stability and lead generation: Identification and characterisation of HDA6 substrate inhibitors”, Jenny Sandmark, AstraZeneca

  15:00–15:30 Coffee

  15:30–16:15 “Structure-Based Design of Lectin Inhibitors - From Discovery to Patients”, Ulf Nilsson, Lund University 

  16:15–17:00 “Automating Fragment Elaboration: Unleashing the Power of Data-Driven Algorithms”, Ruben Sanchez-Garcia, University of Oxford

  18:30 Dinner

  FBLD course

  Tuesday, September 19th

  Location: LINXS

  9:00-9:30 Welcome/course overview

  9:30-10:15 Weak affinity chromatography, Kirill Popov, Red Glead Discovery

  10:15-11:00 NMR, Göran Karlsson, University of Gothenburg

  11:00-11:15 Coffee break

  11:15-12:00 SPR in fragment-based drug discovery – targeting oxidative stress proteins, Anders Bach, University of Copenhagen

  12:00–12:45 EU-openscreen, Tiago Rodrigues, University of Lisbon (online)

  12:45-13:45 Lunch

  13:45-14:45 Fragment elaboration - MedChem strategies, Filippo Minutolo, University of Pisa

  14:45-15:30 ADMET, Martin Scobie, Karolinska Institute/Oxcia

  15:30-15:45 Coffee break

  15:45-16:15 IntraLife/CBCS, Flavio Ballante, Karolinska Institute

  16:15-16:45 DDD Infrastructure, Annette Roos, Uppsala University

  16:45-17:15 LP3/PP SE, Wolfgang Knecht, Lund University

  Wednesday , September 20th

  Location: LINXS

  9:00–9:30 Intro to X-ray diffraction, Derek Logan, Lund University

  9:30–10:00 Protein crystallization for SBDD, Maria Gourdon, Lund University

  10:00–10:30 High-throughput diffraction data collection, Tobias Krojer, MAX IV

  10:30 Coffee break

  11:00–11:45 MX fragment screening, Tobias Krojer, MAX IV

  11:45–12:30 Ligand identification with PanDDA, Nicholas Pearce, Linköping University

  12:30–13:30 Lunch

  13:30–14:00 Work with structures in practice: academia vs companies, Derek Logan, Lund University

  14:00–14:45 Serial crystallography for drug discovery, Gisela Branden, University of Gothenburg

  14:45–15:15 Neutron diffraction, Zoe Fischer, ESS

  15:15–15:45 Cryo-EM in DD, Anu Tyagi, Lund University

  15:45 Coffee break

  Thursday, 21/9

  Location: MAX IV

  8:30-17:00

  Lunch 11:00-12:30

  Working in parallel in groups on:

  • Crystal preparation

  • Data collection

  • Data processing and model building

  Instructors: Tobias Krojer, Swati Aggarwal, Ana Gonzalez, Aaron Finke.

  Friday, September 22nd

  Location: LINXS & Department of Chemistry - Entrance A

  8:30–9:00 Meeting at Kemicentrum, entrance A

  9:00-12:00 Computational fragment elaboration

  12:00-13:00 Lunch (at LINXS)

  13:00-15:00 Working on presentations (LINXS)

  15:00-15:15 Coffee break

  15:15-16:30 Presentations/discussion/questions

  16:30-18:00 Refreshments

• contact

  For questions relating to the symposium/course, please contact raminta.venskutonyte@med.lu.se

  For practical questions about the event, please contact josefin.martell@linxs.lu.se

Sponsors:

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