Andreas ('Anoop') Bender, PhD

Lecturer at the Centre for Molecular Science Informatics, part of the Department of Chemistry of the University of Cambridge. Interested in novel data mining approaches of chemical and biological data and its applications in chemical biology and drug discovery. Also CTO of Healx Ltd., doing data-driven drug repurposing for rare diseases.
Coming to town? Just let me know and we will go for Formal Hall or a good round of punting!

My Chromosomes

Next talks:

Pharmaceutical Flow Cytometry and Imaging 2016
Stevenage, UK, 22/23 November 2016

MI Bio 2016
Cambridge, UK, 9 November 2016

International Conference on Computation for Science and Technology (ICCST) / & Computer-Aided Drug Design (CADD) 2016
Langkawi, Malaysia, 30 October - 4 November 2016

5th International Conference on the Modernization of Traditional Chinese Medicine
Chengdu, China, 24-25 October 2016

Discovery Informatics & Analytics Summit 2016
London, UK, 19-20 October 2016

Cambridge, UK, 22 September 2016

CCG UGM Europe 2016
Vienna, Austria, 17-20 May 2016

The Controlling Cancer Summit 2016
London, UK, 17-19 May 2016

High-Content and Phenotypic Screening
Cambridge, UK, 10/11 May 2016

Granada, Spain, 20-22 April 2016

SLAS Compound Management in Industry and Academia
Berlin, Germany, 12-13 April 2016

Keystone Symposium "Modern Phenotypic Drug Discovery: Defining the Path Forward"
Big Sky, Montana, USA, 2-6 April 2016

Current Trends in Drug Discovery Research (CTDDR) 2016
Lucknow, India, 25-28 February 2016

International Conference on Pharmaceutical Bioinformatics (ICPB 2016)
Pattaya, Thailand, 24-26 January 2016

Big Data Leaders Forum
London, UK, 19-21 January 2016

103rd Indian Science Congress
Mysore, India, 3-7 January 2016

Autumn School of Cheminformatics in Tokyo 2015
Tokyo, Japan, 25/26 November 2015

New Trends of Computational Chemistry for Industry Applications (XRQTC)
Barcelona, Spain, 1-2 October 2015

Summer School "In Silico Drug Discovery"
Warsaw, Poland, 24-26 June 2015

Big Data in Medicine 2015
Cambridge, UK, 19 June 2015

Pharma Exabyte 2015
Berlin, Germany, 27/28 May 2015

9th Drug Design & Medicinal Chemistry Conference
Berlin, Germany, 5-6 May 2015

British Toxicological Society Annual Congress 2015
Birmingham, UK, 19-22 April 2015

Advances and Progress in Drug Design 2015
London, UK, 17-18 February 2015

High-Throughput Cell Biology: From Screening to Applications
Paris, France, 17/18 November 2014

BrazMedChem 2014
Sao Carlos, Brazil, 9-13 November 2014

German Pharmaceutical Society (DPhG) Annual Meeting
Frankfurt, Germany, 23-26 September 2014

Drug Design 2014
Oxford, UK, 23-25 September 2014

Eurotox 2014
Edinburgh, UK, 7-10 September 2014

Royan International Twin Congress on Reproductive Biomedicine and Stem Cells Biology & Technology
Teheran, Iran, 3-5 September 2014

EuroQSAR 2014
St. Petersburg, Russia, 31 August - 4 September 2014

Biodiversity and Medicines Symposium
London, UK, 26 June 2014

7th Global Discovery & Development Innovation Forum
London, UK, 13/14 May 2014

Europe Drug Discovery Summit
Berlin, Germany, 7/8 May 2014

Young Chemists 2014
London, UK, 4 April 2014

Informa Drug Discovery Innovations
Berlin, Germany, 18/19 March 2014

SLAS (Society for Laboratory Automation & Screening) 2014
San Diego, California/US, 18-22 January 2014

Chemical Biology and Drug Discovery Programme 2014
Mysore, India, 9/10 January 2014

Computational Tools for Chemical Biology, Phenotypic Screening and Target De-convolution
Hinxton, UK, 22 November 2013

15th Cefic-LRI Annual Workshop 2013
Brussels, Belgium, 21 November 2013

iPoPS 2013
Shah Alam, Malaysia, 4/5 September 2013

eSSENCE International Workshop on Macromolecular Structure and Dynamics
Uppsala, Sweden, 3-5 June 2013

Informa Drug Discovery Innovations
Berlin, Germany, 19/20 March 2013

Advances and Progress in Drug Design
London, UK, 18-19 February 2013

UiTM Academic Conference 2013
Kuala Lumpur, Malaysia, 29-30 January 2013

German Cheminformatics Conference 2012
Goslar, Germany, 11-13 November 2012

MipTec 2012
Basle, Switzerland, 24-27 September 2012

Symposium on Computational Chemical Biology
Manchester, UK, 13 September 2012

22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Berlin, Germany, 2-6 September 2012

2012 Sino-American Symposium on Clinical and Translational Medicine (SAS-CTM)
Shanghai, China, 27-29 June 2012

SocBIN Bioinformatics 2012
Stockholm, Sweden, 11-14 June 2012

Good Practice in Traditional Chinese Medicine (GP-TCM)
Leiden, The Netherlands, 15-18 April 2012

RIKEN Chemical Biology Symposium
Wako, Japan, 20-21 October 2011

47th International Conference on Medicinal Chemistry (Plenary Lecture)
Lyon, France, 6-8 July 2011

Frontiers in Medicinal Chemistry 2011
Saarbruecken, Germany, 20-23 March 2011

Global Discovery & Development Innovation Forum 2011
London, U. K., 7-8 March 2011

World Drug Discovery & Development Summit 2010
Copenhagen, Denmark, 26-27 October 2010

XIXth LACDR School on Medicinal Chemistry
Oegstgeest, The Netherlands, 19-22 October 2010

UK QSAR Meeting Fall 2010
Cambridge, UK, 12 October 2010

FIGON Dutch Medicines Days 2010
Lunteren, The Netherlands, 4-6 October 2010

21st International Symposium on Medicinal Chemistry
Brussels, Belgium, 5-9 September 2010

Second Strasbourg Summer School on Chemoinformatics
Obernai, France, 20-24 June 2010

Bio-IT World 2010
Boston/MA, 20-22 April 2010

British Toxicology Society Annual Meeting 2010
Edinburgh, 28-31 March 2010

In silico discovery of molecular probes and drug-like compounds: Success & Challenges
Ile de France, France, 23-25 March 2010

Fragment-Based Lead Design 2009
York/UK, 20-23 September 2009

Cochin/India, 19-21 August 2009

Bio-IT World Conference & Expo
Boston/USA, 27-29 April 2009

Addis Ababa University
Addis Ababa/Ethiopia, 9 January 2009

Basel/Switzerland, 14-16 October 2008

Virtual Discovery Europe
Amsterdam/The Netherlands, 19-20 June 2008

8th International Conference on Chemical Structures
Noordwijkerhout/The Netherlands, 1-5 June 2008

Bio-IT World Conference & Expo
Boston/USA, 28-30 April 2008

6th Annual Congress: G Protein-Coupled Receptors in Drug Discovery
Berlin/Germany, 10-13 March 2008

Recent publications (More Publications)
Note: This publication list is only current until early 2015 and needs to be updated. Please consult for a current publication list.
126. Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects.
Isidro CortÚs-Ciriano, et al., MedChemComm. 2015 (in press).

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125. Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.
Aakash Chavan Ravindranath, et al., Mol. Biosyst. 2015 (11) 86 - 96.

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124. A community computational challenge to predict the activity of pairs of compounds.
Mukesh Bansal, et al., Nature Biotech. 2014 (32) 1213 - 1222.

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123. Synthesis and Characterization of Novel 2-Amino-Chromene-Nitriles that Target Bcl-2 in Acute Myeloid Leukemia Cell Lines.
Hosadurga K. Keerthy, et al., PLoS ONE 2014 (9) e107118.

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122. Development of a Novel Azaspirane That Targets the Janus Kinase-Signal Transducer and Activator of Transcription (STAT) Pathway in Hepatocellular Carcinoma in Vitro and in Vivo.
Chakrabhavi Dhananjaya Mohan, et al., J. Biol. Chem. 2014 (289) 34296 - 34307.

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121. Novel Synthetic Biscoumarins Target Tumor Necrosis Factor-α in Hepatocellular Carcinoma in Vitro and in Vivo.
Hosadurga Kumar Keerthyet al., J. Biol. Chem. 2014 (289) 31879 - 31890.

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120. Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.
Qurrat U. Ain, et al., Integr. Biol. 2014 (6) 1023 - 1033.

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119. Synthesis, biological evaluation and in silico and in vitro mode-of-action analysis of novel dihydropyrimidones targeting PPAR-γ.
Hanumantharayappa Bharathkumar, et al., RSC Advances 2014 (4) 45143 - 45146.

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118. Novel Benzoxazine-Based Aglycones Block Glucose Uptake In Vivo by Inhibiting Glycosidases.
Hanumantharayappa Bharathkumar, et al., PLoS ONE 2014 (9) e102759.

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117. Proteochemometric modeling in a Bayesian framework.
Isidro Cortes-Ciriano, et al., J. Cheminf. 2014 (6) 35.

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116. A community effort to assess and improve drug sensitivity prediction algorithms.
James C. Costello, et al., Nature Biotechnol. 2014 (32) 1202 - 1212.

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115. Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling.
Gerard J. P. van Westen, et al., J. Chem. Biol. 2014 (7) 119 - 123.

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114. Comparative mode-of-action analysis following manual and automated phenotype detection in Xenopus laevis.
Georgios Drakakis, et al., MedChemComm 2014 (5) 386 - 396.

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113. Biofragments: an approach towards predicting protein function using biologically-related fragments and its application to Mycobacterium tuberculosis CYP126.
Sean A. Hudson, et al., ChemBioChem. 2014 (15) 549 - 555.

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112. How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space.
Alexios Koutsoukas, et al., J. Chem. Inf. Model. 2014 (54) 230 - 242.

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111. Synthesis and biological evaluation of tetrahydropyridinepyrazoles ('PFPs') as inhibitors of STAT3 phosphorylation.
Revanna C. N., et al., MedChemComm 2014 (5) 32 - 40.

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110. Predicting Toxic Effects of Metabolites.
Andreas Bender, In: Drug Metabolism Prediction. Johannes Kirchmair (Ed.), Wiley, New York 2014.

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109. Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases.
Shardul Paricharak, et al., J. Cheminf. 2013 (5) 49.

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108. Evaluation of antioxidant and antimicrobial activities of the phenolic composition of Algerian Arbutus unedo L. Roots.
Nassim Djabou, et al., Pharmacognosy J. 2013 (5) 275 - 280.

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107. Experimental Confirmation of New Drug-Target Interactions Predicted by Drug Profile Matching.
Laszlo Vegner, et al., J. Med. Chem. 2013 (56) 8377 - 8388.

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106. Design, Synthesis, and Biological Evaluation of an Allosteric Inhibitor of HSET that Targets Cancer Cells with Supernumerary Centrosomes.
Ciorsdaidh A. Watts, et al., Chem. Biol. 2013 (20) 1399 - 1410.

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105. Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
Gerard J. P. van Westen, et al., J. Cheminf. 2013 (5) 42.

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104. Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.
Gerard J. P. van Westen, et al., J. Cheminf. 2013 (5) 41.

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103. Extensions to In Silico Bioactivity Predictions Using Pathway Annotations and Differential Pharmacology Analysis: Application to Xenopus laevis Phenotypic Readouts.
Sonia Liggi, et al., Mol. Inf. 2013 (11-12) 1009 - 1024.

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102. In silico target predictions: defining a benchmarking dataset and comparison of performance of the multiclass Na´ve Bayes and Parzen-Rosenblatt Window.
Alexios Koutsoukas, et al., J. Chem. Inf. Model. 2013 (53) 1957 - 1966.

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101. Linking Ayurveda and Western Medicine by Integrative Analysis.
Fazlin Mohd-Fauzi, et al., J. Ayurveda Integr. Med. 2013 (4) 117 - 119.

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100. Diversity selection of compounds based on 'Protein Affinity Fingerprints' improves sampling of bioactive chemical space.
Ha P. Nguyen, et al., Chem. Biol. Drug Des. 2013 (82) 252 - 266.

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99. Computer-Aided ('In silico') Approaches in the Mode-of-Action Analysis and Safety Assessment of Ostarine and 4-Methylamphetamine.
Fazlin Mohd-Fauzi, et al., Human Psycopharmacol. 2013 (28) 365 - 378.

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98. Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data.
Gerard J. P. van Westen, et al., PLoS Comp. Biol. 2013 (9) e1002899.

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97. Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines.
Fazlin Mohd Fauzi, et al., J. Chem. Inf. Model. 2013 (53) 661 - 673.

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96. Experimental Validation of In Silico Target Predictions on Synergistic Protein Targets.
Isidro Cortes-Ciriano, et al., MedChemComm 2013 (4) 278 - 288.

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95. Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data.
Gerard J. P. van Westen, et al., J. Med Chem. 2012 (55) 7010 - 7020.

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94. A Two-Directional Strategy for the Diversity-Oriented Synthesis of Macrocyclic Scaffolds.
Kieron O'Connell, et al., Org. Biomol. Chem. 2012 (10) 7545 - 7551.

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93. Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein.
Hernando Sanchez-Faddeev, et al., Lect. Notes. Comput. Sci. 2012 (7610) 12 - 24.

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92. Multi-Objective Evolutionary Design of Adenosine Receptor Ligands.
Eelke van der Horst, et al., J. Chem. Inf. Model. 2012 (52) 1713 - 1721.

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91. Predicting Genes Involved in Human Cancer Using Network Contextual Information.
Hossein Rahmani, et al., J. Integr. Bioinf. 2012 (9) 210.

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90. A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design.
Marijn P. A. Sanders, et al., J. Med Chem. 2012 (55) 5311 - 5325.

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89. Cheminformatics.
Joerg K. Wegner, et al., Comm. ACM 2012 (55) 65 - 75.

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88. Recognizing Pitfalls in Virtual Screening: A Critical Review.
Thomas Scior, et al., J. Chem. Inf. Model. 2012 (52) 867 - 881.

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87. A-Ring Dihalogenation Increases the Cellular Activity of Combretastatin-Templated Tetrazoles.
Thomas M. Beale, et al., ACS Med. Chem. Lett 2012 (3) 177 - 181.

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86. Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.
Johannes Kirchmair, et al., J. Chem. Inf. Model. 2012 (52) 617 - 648.

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85. The challenges involved in Modeling Toxicity Data in silico: A Review.
M. Paul Gleeson, et al., Curr. Pharm. Des. 2012 (18) 1266 - 1291.

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More Publications

What's up in Bangalore?

According to Maldacena, our universe may be a three-dimensional membrane living in a four-dimensional anti de Sitter space. 'This picture is looking increasingly plausible' says Prof Duff. - The Daily Telegraph, 7 August 2002
I actually like theoretical physicists, but they tend to oversimplify things.

Although antigen expressed in potato for use in humans was effective in animals, the cooking required for human consumption of the vegetable destroyed the immunogenocity of the antigen. - Drug Discovery and Development, H P Rang (ed.), 1st edition, p. 190.
Yep folks, that's science.

Too much information is no information. - unknown

Wer Sicherheit der Freiheit vorzieht ist zu Recht ein Sklave. - Aristoteles
(Those who prefer safety to freedom are slaves, and rightly so.)

Nichts ist einfach wenn man's doppelt nimmt. - My Grandmother
(Nothing to add here).

Wenn ich Du waere, waere ich lieber ich. - Unknown
(If I were you I'd rather be me.)

Der Unterschied zwischen Theorie und Praxis ist in der Theorie groesser als in der Praxis. - Unknown
(The difference between theory and practice is bigger in theory than in practice.)

Horae vulnerant, ultima necat.
(Every hour hurts, the last one kills.)