Data-Driven Drug Discovery and Molecular Informatics

Professor Andreas Bender

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

Synthesis and in vitro evaluation of hydrazinyl phthalazines against malaria parasite, Plasmodium falciparum
G Subramanian, CP Babu Rajeev, CD Mohan, A Sinha, TTT Chu, S Anusha, H Ximei, JE Fuchs, A Bender, KS Rangappa, R Chandramohanadas, Basappa
Bioorganic and Medicinal Chemistry Letters
(2016)
26
(doi: 10.1016/j.bmcl.2016.05.049)
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, G Hessler, NJ Richmond, P Schmidtke, MHS Segler, MP Waller, S Pleik, J-E Shea, Z Levine, R Mullen, K van den Broek, M Epple, H Kuhn, A Truszkowski, A Zielesny, JH Fraaije, RS Gracia, SM Kast, KC Bulusu, A Bender, A Yosipof, O Nahum, H Senderowitz, T Krotzky, R Schulz, G Wolber, S Bietz, M Rarey, MO Zimmermann, A Lange, M Ruff, J Heidrich, I Onlia, TE Exner, FM Boeckler, M Bermudez, DS Firaha, O Hollóczki, B Kirchner, CS Tautermann, A Volkamer, S Eid, S Turk, F Rippmann, S Fulle, N Saleh, G Saladino, FL Gervasio, E Haensele, L Banting, DC Whitley, JS-D Oliveira Santos, R Bureau, T Clark, A Sandmann, H Lanig, P Kibies, J Heil, F Hoffgaard, R Frach, J Engel, S Smith, D Basu, D Rauh, O Kohlbacher, FM Boeckler, JW Essex, MS Bodnarchuk, GA Ross, AR Finkelmann, AH Göller, G Schneider, T Husch, C Schütter, A Balducci, M Korth, F Ntie-Kang, S Günther, W Sippl, LM Mbaze, F Ntie-Kang, CV Simoben, LL Lifongo, F Ntie-Kang, P Judson, J Barilla, MV Lokajíček, H Pisaková, P Simr, N Kireeva, A Petrov, D Ostroumov, VP Solovev, VS Pervov, N-O Friedrich, K Sommer, M Rarey, J Kirchmair, E Proschak, J Weber, D Moser, L Kalinowski, J Achenbach, M Mackey, T Cheeseright, G Renner, G Renner, TC Schmidt, J Schram, M Egelkraut-Holtus, A van Oeyen, T Kalliokoski, D Fourches, A Ibezim, CJ Mbah, UM Adikwu, NJ Nwodo, A Steudle, BB Masek, S Nagy, D Baker, F Soltanshahi, R Dorfman, K Dubrucq, H Patel, O Koch, F Mrugalla, SM Kast, QU Ain, JE Fuchs, RM Owen, K Omoto, R Torella, DC Pryde, R Glen, A Bender, P Hošek, V Spiwok, LH Mervin, I Barrett, M Firth, DC Murray, L McWilliams, Q Cao, O Engkvist, D Warszycki, M Śmieja, AJ Bojarski, N Aniceto, A Freitas, T Ghafourian, G Herrmann, V Eigner-Pitto, A Naß, R Kurczab, AJ Bojarski, A Lange, MB Günther, S Hennig, FM Büttner, C Schall, A Sievers-Engler, F Ansideri, P Koch, T Stehle, S Laufer, FM Böckler, B Zdrazil, F Montanari, GF Ecker, C Grebner, A Hogner, J Ulander, K Edman, V Guallar, C Tyrchan, J Ulander, C Tyrchan, W Klute, F Bergström, C Kramer, QD Nguyen, R Frach, P Kibies, S Strohfeldt, S Böttcher, T Pongratz, D Horinek, SM Kast, B Rupp, R Al-Yamori, M Lisurek, R Kühne, F Furtado, K van den Broek, L Wessjohann, M Mathea, K Baumann, SZ Mohamad-Zobir, X Fu, T-P Fan, A Bender, MA Kuhn, CA Sotriffer, A Zoufir, X Li, L Mervin, E Berg, M Polokoff, WD Ihlenfeldt, WD Ihlenfeldt, J Pretzel, Z Alhalabi, R Fraczkiewicz, M Waldman, RD Clark, N Shaikh, P Garg, A Kos, H-J Himmler, A Sandmann, C Jardin, H Sticht, TB Steinbrecher, M Dahlgren, D Cappel, T Lin, L Wang, G Krilov, R Abel, R Friesner, W Sherman, IA Pöhner, J Panecka, RC Wade, S Bietz, KT Schomburg, M Hilbig, M Rarey, C Jäger, V Wieczorek, LM Westerhoff, OY Borbulevych, H-U Demuth, M Buchholz, D Schmidt, T Rickmeyer, T Krotzky, P Kolb, S Mittal, E Sánchez-García, MS Nogueira, TB Oliveira, FB da Costa, TJ Schmidt
Journal of cheminformatics
(2016)
8
(doi: 10.1186/s13321-016-0119-5)
11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015.
U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, G Hessler, NJ Richmond, P Schmidtke, MHS Segler, MP Waller, S Pleik, J-E Shea, Z Levine, R Mullen, K van den Broek, M Epple, H Kuhn, A Truszkowski, A Zielesny, JH Fraaije, RS Gracia, SM Kast, KC Bulusu, A Bender, A Yosipof, O Nahum, H Senderowitz, T Krotzky, R Schulz, G Wolber, S Bietz, M Rarey, MO Zimmermann, A Lange, M Ruff, J Heidrich, I Onlia, TE Exner, FM Boeckler, M Bermudez, DS Firaha, O Hollóczki, B Kirchner, CS Tautermann, A Volkamer, S Eid, S Turk, F Rippmann, S Fulle, N Saleh, G Saladino, FL Gervasio, E Haensele, L Banting, DC Whitley, JS-D Oliveira Santos, R Bureau, T Clark, A Sandmann, H Lanig, P Kibies, J Heil, F Hoffgaard, R Frach, J Engel, S Smith, D Basu, D Rauh, O Kohlbacher, FM Boeckler, JW Essex, MS Bodnarchuk, GA Ross, AR Finkelmann, AH Göller, G Schneider, T Husch, C Schütter, A Balducci, M Korth, F Ntie-Kang, S Günther, W Sippl, LM Mbaze, F Ntie-Kang, CV Simoben, LL Lifongo, F Ntie-Kang, P Judson, J Barilla, MV Lokajíček, H Pisaková, P Simr, N Kireeva, A Petrov, D Ostroumov, VP Solovev, VS Pervov, N-O Friedrich, K Sommer, M Rarey, J Kirchmair, E Proschak, J Weber, D Moser, L Kalinowski, J Achenbach, M Mackey, T Cheeseright, G Renner, G Renner, TC Schmidt, J Schram, M Egelkraut-Holtus, A van Oeyen, T Kalliokoski, D Fourches, A Ibezim, CJ Mbah, UM Adikwu, NJ Nwodo, A Steudle, BB Masek, S Nagy, D Baker, F Soltanshahi, R Dorfman, K Dubrucq, H Patel, O Koch, F Mrugalla, SM Kast, QU Ain, JE Fuchs, RM Owen, K Omoto, R Torella, DC Pryde, R Glen, A Bender, P Hošek, V Spiwok, LH Mervin, I Barrett, M Firth, DC Murray, L McWilliams, Q Cao, O Engkvist, D Warszycki, M Śmieja, AJ Bojarski, N Aniceto, A Freitas, T Ghafourian, G Herrmann, V Eigner-Pitto, A Naß, R Kurczab, AJ Bojarski, A Lange, MB Günther, S Hennig, FM Büttner, C Schall, A Sievers-Engler, F Ansideri, P Koch, T Stehle, S Laufer, FM Böckler, B Zdrazil, F Montanari, GF Ecker, C Grebner, A Hogner, J Ulander, K Edman, V Guallar, C Tyrchan, J Ulander, C Tyrchan, W Klute, F Bergström, C Kramer, QD Nguyen, R Frach, P Kibies, S Strohfeldt, S Böttcher, T Pongratz, D Horinek, SM Kast, B Rupp, R Al-Yamori, M Lisurek, R Kühne, F Furtado, K van den Broek, L Wessjohann, M Mathea, K Baumann, SZ Mohamad-Zobir, X Fu, T-P Fan, A Bender, MA Kuhn, CA Sotriffer, A Zoufir, X Li, L Mervin, E Berg, M Polokoff, WD Ihlenfeldt, WD Ihlenfeldt, J Pretzel, Z Alhalabi, R Fraczkiewicz, M Waldman, RD Clark, N Shaikh, P Garg, A Kos, H-J Himmler, A Sandmann, C Jardin, H Sticht, TB Steinbrecher, M Dahlgren, D Cappel, T Lin, L Wang, G Krilov, R Abel, R Friesner, W Sherman, IA Pöhner, J Panecka, RC Wade, S Bietz, KT Schomburg, M Hilbig, M Rarey, C Jäger, V Wieczorek, LM Westerhoff, OY Borbulevych, H-U Demuth, M Buchholz, D Schmidt, T Rickmeyer, T Krotzky, P Kolb, S Mittal, E Sánchez-García, MS Nogueira, TB Oliveira, FB da Costa, TJ Schmidt
Journal of cheminformatics
(2016)
8
(doi: 10.1186/s13321-016-0119-5)
Trisubstituted-imidazoles induce apoptosis in human breast cancer cells by targeting the oncogenic PI3K/Akt/mTOR signaling pathway
CD Mohan, V Srinivasa, S Rangappa, L Mervin, S Mohan, S Paricharak, S Baday, F Li, MK Shanmugam, A Chinnathambi, ME Zayed, SA Alharbi, A Bender, G Sethi, Basappa, KS Rangappa
PLoS One
(2016)
11
(doi: 10.1371/journal.pone.0153155)
Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data†
CHG Allen, A Koutsoukas, I Cortés-Ciriano, DS Murrell, TE Malliavin, RC Glen, A Bender
Toxicol Res (Camb)
(2016)
5
(doi: 10.1039/c5tx00406c)
Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data
S Paricharak, AP IJzerman, A Bender, F Nigsch
ACS chemical biology
(2016)
11
(doi: 10.1021/acschembio.6b00029)
Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes
SZ Mohamad Zobir, F Mohd Fauzi, S Liggi, G Drakakis, X Fu, T-P Fan, A Bender
Evidence-based Complementary and Alternative Medicine
(2016)
2016
(doi: 10.1155/2016/2106465)
Systematic selection of small molecules to promote differentiation of embryonic stem cells and experimental validation for generating cardiomyocytes.
Y KalantarMotamedi, M Peymani, H Baharvand, MH Nasr-Esfahani, A Bender
Cell death discovery
(2016)
2
(doi: 10.1038/cddiscovery.2016.7)
Nano-MoO3-mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching
KH Kumar, S Paricharak, CD Mohan, H Bharathkumar, GP Nagabhushana, DK Rajashekar, GT Chandrappa, A Bender, Basappa, KS Rangappa
New Journal of Chemistry
(2016)
40
(doi: 10.1039/c5nj02729b)
Current Trends in Drug Sensitivity Prediction
I Cortes-Ciriano, LH Mervin, A Bender
CURRENT PHARMACEUTICAL DESIGN
(2016)
22
(doi: 10.1174/1381611811666161016154430)

Research Interest Groups

Biological
Theory

Telephone number

01223 762983

Email address

ab454@cam.ac.uk
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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Email: ab454@cam.ac.uk
T: 01223 762983

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