Publications by Dr Andreas Bender

Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.

S Paricharak, AP IJzerman, A Bender, F Nigsch

– ACS Chem Biol

(2016)

11,

1255

Understanding the mode-of-action of Cassia auriculata via in silico and in vivo studies towards validating it as a long term therapy for type II diabetes

F Mohd Fauzi, CM John, A Karunanidhi, HY Mussa, R Ramasamy, A Adam, A Bender

– Journal of Ethnopharmacology

(2017)

197,

(DOI: 10.1016/j.jep.2016.07.058)

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)

(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,

e0153155

(DOI: 10.1371/journal.pone.0153155)

Current Trends in Drug Sensitivity Prediction

I Cortes-Ciriano, LH Mervin, A Bender

– CURRENT PHARMACEUTICAL DESIGN

(2016)

22,

6918

(DOI: 10.1174/1381611811666161016154430)

Nano-MoO 3 -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,

2189

(DOI: 10.1039/c5nj02729b)

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

– Toxicology Research

(2016)

883

(DOI: 10.1039/C5TX00406C)

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 Discov

(2016)

16007

(DOI: 10.1038/cddiscovery.2016.7)

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 : eCAM

(2016)

2016,

(DOI: 10.1155/2016/2106465)

Nano-cuprous oxide catalyzed one-pot synthesis of a carbazole-based STAT3 inhibitor: a facile approach via intramolecular C-N bond formation reactions

CP Baburajeev, CD Mohan, GS Patil, S Rangappa, V Pandey, A Sebastian, JE Fuchs, A Bender, PE Lobie, Basappa, KS Rangappa

– RSC Advances

(2016)

36775

(DOI: 10.1039/C6RA01906D)

Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR

N Aniceto, AA Freitas, A Bender, T Ghafourian

– Mol Inform

(2016)

35,

514

(DOI: 10.1002/minf.201600036)

Modeling Polypharmacological Profiles by Affinity Fingerprinting

A Peragovics, Z Simon, A Malnasi-Csizmadia, A Bender

– Current Pharmaceutical Design

(2016)

22,

6885

(DOI: 10.2174/1381612822666160831104718)

Improved Chemical Structure-Activity Modeling Through Data Augmentation

I Cortes-Ciriano, A Bender

– J Chem Inf Model

(2015)

55,

2682

(DOI: 10.1021/acs.jcim.5b00570)

ARWAR: A network approach for predicting Adverse Drug Reactions

H Rahmani, G Weiss, O Méndez-Lucio, A Bender

– Computers in biology and medicine

(2016)

68,

101

(DOI: 10.1016/j.compbiomed.2015.11.005)

How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.

I Cortés-Ciriano, A Bender

– ChemMedChem

(2016)

11,

(DOI: 10.1002/cmdc.201500424)

Corrigendum to “Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors” [Eur. J. Med. Chem. 101 (2015) 573–583]

D de Lucia, OM Lucio, B Musio, A Bender, M Listing, S Dennhardt, A Koeberle, U Garscha, R Rizzo, S Manfredini, O Werz, SV Ley

– European Journal of Medicinal Chemistry

(2015)

103,

223

(DOI: 10.1016/j.ejmech.2015.08.050)

Development of Novel Triazolo-Thiadiazoles from Heterogeneous “Green” Catalysis as Protein Tyrosine Phosphatase 1B Inhibitors

CP Baburajeev, C Dhananjaya Mohan, H Ananda, S Rangappa, JE Fuchs, S Jagadish, K Sivaraman Siveen, A Chinnathambi, S Ali Alharbi, ME Zayed, J Zhang, F Li, G Sethi, KS Girish, A Bender, Basappa, KS Rangappa

– Scientific reports

(2015)

14195

(DOI: 10.1038/srep14195)

Synthesis, characterization and in vitro evaluation of novel enantiomerically-pure sulphonamide antimalarials

S Anusha, A Sinha, CP Babu Rajeev, TTT Chu, J Mathai, H Ximei, JE Fuchs, N Shivananju, A Bender, PR Preiser, KS Rangappa, Basappa, R Chandramohanadas

– Org Biomol Chem

(2015)

13,

10681

(DOI: 10.1039/C5OB01479D)

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.

I Cortés-Ciriano, GJP van Westen, G Bouvier, M Nilges, JP Overington, A Bender, TE Malliavin

– Bioinformatics (Oxford, England)

(2016)

32,

btv529

(DOI: 10.1093/bioinformatics/btv529)

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives.

KC Bulusu, R Guha, DJ Mason, RPI Lewis, E Muratov, Y Kalantar Motamedi, M Cokol, A Bender

– Drug Discov Today

(2016)

21,

225

(DOI: 10.1016/j.drudis.2015.09.003)

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