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Publications by Dr Andreas Bender

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
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
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)
2,
16007
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
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
Modeling Polypharmacological Profiles by Affinity Fingerprinting
A Peragovics, Z Simon, A Malnasi-Csizmadia, A Bender
– Current Pharmaceutical Design
(2016)
22,
6885
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,
1
Improved Chemical Structure-Activity Modeling Through Data Augmentation
I Cortes-Ciriano, A Bender
– J Chem Inf Model
(2015)
55,
2682
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
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,
57
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
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)
5,
14195
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
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
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
Synthesis of 1,2-benzisoxazole tethered 1,2,3-triazoles that exhibit anticancer activity in acute myeloid leukemia cell lines by inhibiting histone deacetylases, and inducing p21 and tubulin acetylation
N Ashwini, M Garg, CD Mohan, JE Fuchs, S Rangappa, S Anusha, TR Swaroop, KS Rakesh, D Kanojia, V Madan, A Bender, HP Koeffler, Basappa, KS Rangappa
– Bioorganic & medicinal chemistry
(2015)
23,
6157
Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors
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
– Eur J Med Chem
(2015)
103,
573
Screening of quinoline, 1,3-benzoxazine, and 1,3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in silico binding mode analysis.
H Bharathkumar, CD Mohan, S Rangappa, T Kang, HK Keerthy, JE Fuchs, NH Kwon, A Bender, S Kim, Basappa, KS Rangappa
– Org Biomol Chem
(2015)
13,
9381
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
I Cortes-Ciriano, A Bender, TE Malliavin
– J Chem Inf Model
(2015)
55,
1413
Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction
I Cortés-Ciriano, A Bender, T Malliavin
– Molecular Informatics
(2015)
34,
357

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