Professor Andreas Bender | Data-Driven Drug Discovery and Molecular Informatics

Currently also: Chief Informatics and Technology Officer (CITO) at Pangea Botanica, London/UK and Berlin/Germany

Previous positions:

Director Digital Chemistry at NUVISAN Berlin

Associate Director Computational ADME and Safety (Clinical Pharmacology & Safety Sciences/Data Science and Artificial Intelligence - CPSS/DSAI) at AstraZeneca Cambridge

Co-founder of Healx Ltd.

Co-founder of PharmEnable Ltd.

Personal Website

Committed to developing new life science data analysis methods (AI/ML/data science) and their application, primarily related to chemical biology, drug discovery and in silico toxicology
Expertise comprises data ranging from chemical structure and gene expression data to phenotypic readouts and preclinical information, applied to both efficacy- and safety/tox-related questions
Collaborating with academic research groups, as well as pharmaceutical, chemical, and consumer goods companies (Eli Lilly, AstraZeneca, GSK, BASF, Johnson&Johnson/Janssen, Unilever, ...)
Co-founder/founding CTO and current SAB member of Healx Ltd. (data-driven drug repurposing for rare diseases, and beyond); co-founder of PharmEnable Ltd.; SAB member of Lhasa Ltd. (toxicology and metabolism prediction) and Cresset Ltd.
Coordinator of the Computational & In Silico Toxicology Specialty Section of the British Toxicology Society (BTS)
Steering Committee Member of the Cambridge Alliance on Medicines Safety (CAMS)
Currently leading a group of ca. 15 PhD students, postdocs, project students and visitors at the Centre for Molecular Informatics at the University of Cambridge, https://www-cmi.ch.cam.ac.uk/centre-molecular-informatics

Publications

Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data

B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender

RSC Molecular Omics

(2018)

14

218

(doi: 10.1039/c8mo00042e)

Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases

L Kalash, C Val, J Azuaje, MI Loza, F Svensson, A Zoufir, L Mervin, G Ladds, J Brea, R Glen, E Sotelo, A Bender

Journal of Cheminformatics

(2017)

9

67

(doi: 10.1186/s13321-017-0249-4)

Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening

Y Kong, A Bender, A Yan

Journal of Chemical Information and Modeling

(2017)

58

36

(doi: 10.1021/acs.jcim.7b00300)

DeepSynergy: predicting anti-cancer drug synergy with Deep Learning

K Preuer, RPI Lewis, S Hochreiter, A Bender, KC Bulusu, G Klambauer

Bioinformatics (Oxford, England)

(2017)

34

1538

(doi: 10.1093/bioinformatics/btx806)

Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?

SK Ashenden, T kogej, O Engkvist, A Bender

Journal of Chemical Information and Modeling

(2017)

60

3902

Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?

SK Ashenden, T Kogej, O Engkvist, A Bender

Journal of Chemical Information and Modeling

(2017)

57

2741

(doi: 10.1021/acs.jcim.7b00295)

Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses

KK Wong, LH Mervin, A Mazzolari, A Bender, NS Yaacob

Journal of Plant Biochemistry and Biotechnology

(2017)

26

451

(doi: 10.1007/s13562-017-0407-9)

Orthologue chemical space and its influence on target prediction.

LH Mervin

Bioinformatics

(2017)

34

72

(doi: 10.1093/bioinformatics/btx525)

Fast, Quantitative and Variant Enabled Mapping of Peptides to Genomes

CN Schlaffner, GJ Pirklbauer, A Bender, JS Choudhary

Cell systems

(2017)

5

152

(doi: 10.1016/j.cels.2017.07.007)

Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors.

F Svensson, A Bender, D Bailey

Journal of medicinal chemistry

(2017)

61

1415

(doi: 10.1021/acs.jmedchem.7b00404)