For each of the below topics, a slot in the programme will be available for an oral communication to be selected out of the submitted abstracts.
Session Chair : Dr Amit KALGUTKAR, Pfizer, United States
A thorough understanding of the major disposition pathways including tissue distribution of small molecule therapeutics is needed for the precise prediction of human pharmacokinetics (PK) as well as in reducing potential safety concerns arising from metabolism. The session will feature presentations centered around the utility of in vitro/in vivo studies in tandem with the use of in silico ADME predictors towards the optimization of the pharmacokinetics/disposition of new chemical entities, leading to safe investigational drug candidates amenable to once- or twice-a-day dosing paradigm.
Session Chair : Prof. Sarah E. REISMAN, California Institute of Technology, United States
The session focusses on recent advances in synthetic chemistry that are already dramatically impacting the drug discovery process. A particular emphasis will be placed on methods that facilitate late-stage functionalization of functionalized targets. This includes approaches that rely on novel, designed catalysts as well as new techniques to the discipline, such as photoredox catalysis. The advances enable access to novel regions of functional/structural and, potentially, pharmacological space.
Session Chair : Dr Wolfgang JAHNKE, Novartis Institutes for Biomedical Research, Switzerland
Many target-based medicinal chemistry programs can benefit from structural information that enables structure-based design, and biophysical information that complements and exceeds biochemical assay data with robust and orthogonal information on protein-ligand binding. This session will highlight recent progress and emerging opportunities in the field of structural biology and biophysical techniques.
Session Chair : Prof. Alessio CIULLI, University of Dundee, United Kingdom
Until recently, small molecules drug discovery has been predicated on blockade/inhibition of a target protein as the conventional modality of intervention. Today, inducing protein degradation by means of bivalent “PROTACs” or monovalent “molecular glues” is revolutionizing how medicinal chemists target proteins and is redefining their “rule set”. This section will outline the opportunities and challenges involved with targeting proteins for degradation, highlight the latest advances in the field, and cover recent successes and learning from medicinal chemistry campaigns.
Session Chair : Prof. Thomas MAGAUER, University of Innsbruck, Austria
Chemical synthesis is by far not a mature field. Many interesting molecular architectures were previously unavailable in ample quantities as they were only produced in minute quantities in nature or their preparation required too many synthetic operations. With the advent of modern methods and sophisticated techniques, powerful retrosynthetic bond disconnections that drastically increase the overall efficiency of a synthesis have emerged. In this section, recent advances in the field of natural product synthesis will be presented with the aim to provide inspiration and solutions for medicinal and synthetic chemists alike.
Session Chair : Dr Thomas TRIESELMANN, Boehringer Ingelheim, Germany
In recent years, machine learning and related techniques of Artificial Intelligence have been applied successfully to some of the key challenges in drug discovery. New methods hold the potential to make better use of the wealth of data generated in decades of research in medicinal chemistry. The status and the potential of such tools for the medicinal chemist is the focus of this session, together with case studies.
Session Chair : Dr Philippe NANTERMET, Merck and Co. Inc., United States
The session will focus on novel ways to target and deliver diverse payloads to specific cell types and/or tissue/organ of interest, while avoiding undesired exposure outside the area of interest. Innovative methods toward chemical and chemoenzymatic conjugation of targeting devices to payloads of interest will be presented by the various speakers. Applications to several therapeutic areas, starting with oncology will also be demonstrated.
Session Chair : Dr Lena RIPA, AstraZeneca, Sweden
This session will be put together by selected proposals out of the abstract submissions.