Key publications of the Computational Drug Discovery group

Promotores: J.C. van Houwelingen, S.A. van de Geer

For more information regarding ongoing research projects, please contact Dr. Ilze Bot.

If you know a crime is about to occur, should you be able to prevent it before it has even happened? This was one of the questions that was posed in light of predictive policing as a form of mass surveillance during the debate in the elective Governance of Crime and Social Disorder class of the Crisis…

Since the attack of 22 may 2017 in the Manchester Arena, we have often seen the term ‘soft target’. Jeanine de Roy van Zuijdewijn, researcher at the Institute of Security and Global Affairs, took part in a Q&A about the attack in Manchester.

This longitudinal study is focused on neurodevelopmental problems in young children with XXY, XXX and XYY, aged 1 to 6 years.

How is it that some covid-19 patients are affected much worse than others? Can we predict beforehand which of them will develop critical symptoms Professor Thomas Hankemeier, together with a diverse consortium of universities, academic hospitals and industrial partners, is looking for the answers to…

eLaw is thrilled to let you know that on 29 April (17:00-19:00), we will be hosting Prof. Luciano Floridi, Prof. Brett Frischmann and Prof. Shoshana Zuboff on the online (zoom) panel discussion with the question – Should online targeted advertisement be banned on the premise that it violates human d…

The project Deconstructing Stability aims to improve reconstructions of late prehistoric landscapes and predictive models for the purpose of archaeological heritage management.

The American Association of Pharmaceutical Scientists (AAPS) has been pleased to announce Dr. Elizabeth de Lange as a recipient of the 2013 AAPS Fellows Award at the 2013 AAPS Annual Meeting and Exposition in San Antonio.

Physicists propose the existence of sterile neutrinos that would explain three big mysteries in nature. To actually find them in particle accelerators, researchers need to know how they are produced and how they decay. PhD candidate Kyrylo Bondarenko has made predictions about this, which are currently…

There are many complex links in the chain that provides patients with new drugs: from fundamental science, to clinical tests, to production. The entire chain can be found in Leiden. Leiden University, the Leiden University Medical Center (LUMC) and the businesses at the Leiden Bio Science Park (LBSP)…

Triple-negative breast cancer (TNBC) constitutes a small subtype (~15%) of breast cancer, but causes the majority of breast cancer-related deaths.

In CCLS several subgroups have formed, below you can find an overview of these groups with the names of the leading researchers and a short outline of the project.

At the start of the COVID-19 pandemic, researchers from 15 departments at Leiden University Medical Center (LUMC) realised they could do more for patients if they joined forces. This is how the BEAT-COVID group has been able to rapidly gain knowledge about COVID-19, the role of the immune system and…

As of April 1, 2018, Erik Danen has been appointed as Professor of Cancer drug target discovery at the Leiden Academic Centre for Drug Research (LACDR). His discipline is cell biology of cancer, in which he focuses on the mechanisms underlying metastasis and therapy resistance.

Science, Institute of Environmental Sciences (CML)

Proteases degrade matrix molecules in the atherosclerotic plaque, thereby reducing atherosclerotic plaque stability. Mast cells, that contain proteases such as tryptase and chymase, have been identified at the site of rupture in specimens of human coronary arteries and their number in the plaque was…

Ecotox is located in an ambitious surrounding at the Leiden University. It is an initiative of both institutes Institute of Environmental Sciences (CML) and Institute of Biology Leiden (IBL).

The emissions of the Chinese industrial sector alone comprise 24.1% of global emissions (7.8 GtCyr−1 in 2015). This makes Chinese industrial emissions of unique national and international relevance in climate policy. This study reports a literature survey that quantitatively describes the evolution…

A deliberate attack on a tangible element of a culture, such as a temple, is often also an attack on intangible elements: the religion or religious customs. Equally, the intangible can be attacked without the involvement of the tangible, for example the brutal curtailment of rights. How are these reflected…

The discovery of new medicines is a tedious and lengthy process. On average, over 10,000 molecules need to be studied for one to become a drug and reach the patient. Part of that process are the very costly clinical trials in humans, and candidate drugs often fail due to side effects or lack of efficacy.…

The Chemical Probe Facility is part of the Leiden Early Drug Discovery & Development (LED3) center. Activity-based protein profiling (ABPP) is one of the pillars of chemical biology. ABPP determines the activity of entire protein families in living cells and tissues under physiological conditions, such…

Timely, adequate and optimal treatment of infectious diseases is essential for the survival of patients with bacterial infections (Surviving Sepsis campaign).

Previous research has found important inter-individual differences in the pharmacokinetics (PK) of morphine in special populations such as children, the morbidly obese or the critically ill.

Supervisor: Lizi Xia

Cancer is the leading cause of death in the Netherlands, and, with over 100 different types of cancer, it’s not a simple disease. Today, skin, breast, lung, prostate and colon cancer are the most diagnosed forms. Therefore, the discovery and development of new drugs has the ability to significantly…

Environmental researcher Martina Vijver is over the moon with her ERC Consolidator Grant. This prestigious grant is recognition, she says, of the study of the behaviour and possible toxicity of new nanomaterials in ecosystems.

Six PhD candidates from the Institute for History took part in a pilot project targeted at career development. Between September and December 2016 group meetings and individual coaching sessions helped them position themselves better on the job market outside of academia.

In a longitudinal study, Eichengreen and colleagues explored how the certain aspects of emotional intelligence impact the development of adolescents’ mental health, thus identifying potential warning signs and targets for intervention programs. Despite a higher risk for mental health issues and lesser…

In this thesis, a system pharmacology approach, integrating metabolomics, pharmacology and chemical biology, was applied to understand and modulate the endocannabinoid system across different model systems (cells, zebrafish, mice and humans).

Key publications of the Quantitative Pharmacology group

Inaugural Lecture

Holocaust scholars Barbara Engelking and Jan Grabowski will jointly hold the Cleveringa lecture on November 26. They were accused of defamation in Poland for a book they co-edited. How has this affected them? ‘This is an attempt to wear us down.’

Promotoren: G.F.A. Kersten, W. Jiskoot, Co-promotor: J-P. Amorij

Main challenges in skin vaccination are overcoming the stratum corneum (SC) barrier and targeting the antigen presenting cells (APC) in the epidermis and the dermis.

How to identify patients at risk of developing devastating, metastatic disease and facilitate the development of personalised treatment for prostate cancer patients?

Research in this group, headed by Gerard van Westen, focusses on computational methods integrated in different parts of the drug discovery process. More specifically, topics include innovative treatments for cancer, selectivity modeling, translational research, allosteric modulation, drug resistance…

The Faculty of Medicine

Supervisor: Natalia Ortiz Zacarías

Target selectivity is an important aspect of any drug molecule, and certainly a parameter to be optimized. That is not trivial for a number of reasons. First of all hundreds of drug targets (receptors, enzymes, ion channels) exist, and no single lab in the world has assays for all of them.

The goal of hit discovery is to identify suitable chemical starting points to modulate a drug target. A hit can be, a.o., a small molecule, a protein or mRNA. Hit identification is performed via rational design, genome mining, (targeted) library screening, or in silico approaches.

Molecular Physiology is a research group at the Leiden Institute of Chemistry dedicated to the design, synthesis and application of chemical tools to study important biological and biomedical questions. The group is headed by Prof. Dr. Mario van der Stelt and includes the research lines of Assistant…

In this research group, headed by Laura Heitman, novel receptor concepts in drug discovery are studied, aiming to increase the effectivity of medicines. Many drugs act via so-called G protein-coupled receptors (GPCRs) and therefore our research is mainly focused on understanding and improving drug-receptor…