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Publications by Dr Andreas Bender

Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular Structure.
DJ Mason, I Stott, S Ashenden, ZB Weinstein, I Karakoc, S Meral, N Kuru, A Bender, M Cokol
– J Med Chem
(2017)
60,
3902
Polypharmacological In Silico Bioactivity Profiling and Experimental Validation Uncovers Sedative-Hypnotic Effects of Approved and Experimental Drugs in Rat
G Drakakis, KA Wafford, SC Brewerton, MJ Bodkin, DA Evans, A Bender
– ACS Chem Biol
(2017)
Identification of Novel Class of Triazolo-Thiadiazoles as Potent Inhibitors of Human Heparanase and their Anticancer Activity.
CP Baburajeev, CD Mohan, S Rangappa, DJ Mason, JE Fuchs, A Bender, U Barash, I Vlodavsky, Basappa, KS Rangappa
– BMC cancer
(2017)
17,
235
Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson’s disease: a comparison of 33 human and animal studies
E Oerton, A Bender
– BMC Neurology
(2017)
17,
58
Toward Understanding the Cold, Hot, and Neutral Nature of Chinese Medicines Using in Silico Mode-of-Action Analysis.
X Fu, LH Mervin, X Li, H Yu, J Li, SZ Mohamad Zobir, A Zoufir, Y Zhou, Y Song, Z Wang, A Bender
– J Chem Inf Model
(2017)
57,
468
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction
F Svensson, U Norinder, A Bender
– J Chem Inf Model
(2017)
57,
439
Fragment Profiling Approach to Inhibitors of the Orphan M. tuberculosis P450 CYP144A1
ME Kavanagh, J Chenge, A Zoufir, KJ McLean, AG Coyne, A Bender, AW Munro, C Abell
– Biochemistry
(2017)
56,
1559
Modelling compound cytotoxicity using conformal prediction and PubChem HTS data
F Svensson, U Norinder, A Bender
– Toxicology Research
(2017)
6,
73
In silico target prediction for elucidating the mode of action of herbicides including prospective validation
RK Chiddarwar, SG Rohrer, A Wolf, S Tresch, S Wollenhaupt, A Bender
– J Mol Graph Model
(2017)
71,
70
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,
ARTN 69
Current Trends in Drug Sensitivity Prediction
I Cortes-Ciriano, LH Mervin, A Bender
– Current Pharmaceutical Design
(2016)
22,
6918
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 Med
(2016)
81,
S1
Target Fishing: A Single-Label or Multi-Label Problem?
AM Afzal, HY Mussa, RE Turner, A Bender, RC Glen
– arXiv
(2016)
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 : official journal of the European Federation for Pharmaceutical Sciences
(2017)
97,
151
Analysis of Differential Efficacy and Affinity of GABA A (α1/α2) Selective Modulators
QU Ain, RM Owen, K Omoto, R Torella, KC Bulusu, DC Pryde, RC Glen, JE Fuchs, A Bender
– Molecular Pharmaceutics
(2016)
13,
4001
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
– J Chem Inf Model
(2016)
56,
1622
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
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
– Bioorg Med Chem Lett
(2016)
26,
3300
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,
61

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