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Department of Chemistry

 

Publications by Dr Andreas Bender

A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood
N Aniceto, AA Freitas, A Bender, T Ghafourian
– Journal of Cheminformatics
(2016)
8,
69
(DOI: 10.1186/s13321-016-0182-y)
Anti-mesothelioma mechanism of action studies of a complex Cynara scolymus fraction using in silico target prediction and gene expression profiling.
N Sharma, C Pulito, G Klambauer, L Mattoli, S Strano, G Blandino, J Lucci, A Bender
– Planta medica
(2016)
82,
S1
(DOI: 10.1055/s-0036-1596242)
Current trends in drug sensitivity prediction
I Cortes-Ciriano, LH Mervin, A Bender
– Current Pharmaceutical Design
(2017)
22,
6918
(DOI: 10.2174/1381612822666161026154430)
Diversity selection, screening and quantitative structure-activity relationships of osmolyte-like additive effects on the thermal stability of a monoclonal antibody
O-O Oyetayo, O Méndez-Lucio, A Bender, H Kiefer
– European Journal of Pharmaceutical Sciences
(2017)
97,
151
(DOI: 10.1016/j.ejps.2016.11.016)
Analysis of Differential Efficacy and Affinity of GABA
QU Ain, RM Owen, K Omoto, R Torella, KC Bulusu, DC Pryde, RC Glen, JE Fuchs, A Bender
– Molecular pharmaceutics
(2016)
13,
4001
(DOI: 10.1021/acs.molpharmaceut.6b00813)
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening
S Paricharak, AP IJzerman, JL Jenkins, A Bender, F Nigsch
– Journal of chemical information and modeling
(2016)
56,
1622
(DOI: 10.1021/acs.jcim.6b00244)
Understanding cytotoxicity and cytostaticity in a high-throughput screening collection
LH Mervin, Q Cao, IP Barrett, MA Firth, D Murray, L McWilliams, M Haddrick, M Wigglesworth, O Engkvist, A Bender
– ACS Chem Biol
(2016)
11,
3007
(DOI: 10.1021/acschembio.6b00538)
Understanding cytotoxicity in high-throughput screening collections using an in silico polypharmacological prediction protocol
L Mervin, Q Cao, I Barrett, M Firth, D Murray, O Engkvist, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
252,
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 & Medicinal Chemistry Letters
(2016)
26,
3300
(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,
18
(DOI: 10.1186/s13321-016-0119-5)
11th German Conference on Chemoinformatics (GCC 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
– J Cheminform
(2016)
8,
18
(DOI: 10.1186/s13321-016-0119-5)
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,
1255
(DOI: 10.1021/acschembio.6b00029)
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
– J Ethnopharmacol
(2017)
197,
61
(DOI: 10.1016/j.jep.2016.07.058)
Nano-MoO<inf>3</inf>-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)
Current Trends in Drug Sensitivity Prediction
I Cortes-Ciriano, LH Mervin, A Bender
– CURRENT PHARMACEUTICAL DESIGN
(2016)
22,
6918
(DOI: 10.1174/1381611811666161016154430)
Modeling Polypharmacological Profiles by Affinity Fingerprinting
A Peragovics, Z Simon, A Malnasi-Csizmadia, A Bender
– Curr Pharm Des
(2017)
22,
6885
(DOI: 10.2174/1381612822666160831104718)
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,
2106465
(DOI: 10.1155/2016/2106465)
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)
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)
5,
883
(DOI: 10.1039/c5tx00406c)
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)
6,
36775
(DOI: 10.1039/c6ra01906d)

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