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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening.
Y Kong, A Bender, A Yan
– Journal of chemical information and modeling
(2017)
58,
36
(DOI: 10.1021/acs.jcim.7b00300)
DeepSynergy: Predicting anti-cancer drug synergy with Deep Learning
K Preuer, RPI Lewis, S Hochreiter, A Bender, KC Bulusu, G Klambauer
– Bioinformatics
(2017)
34,
1538
(DOI: 10.1093/bioinformatics/btx806)
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
SK Ashenden, T kogej, O Engkvist, A Bender
– Journal of Chemical Information and Modeling
(2017)
60,
3902
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
SK Ashenden, T Kogej, O Engkvist, A Bender
– Journal of chemical information and modeling
(2017)
57,
2741
(DOI: 10.1021/acs.jcim.7b00295)
Towards the mode of action of Strobilanthes crispus through integrated computational and experimental analyses
KK Wong, LH Mervin, A Mazzolari, A Bender, NS Yaacob
– Journal of Plant Biochemistry and Biotechnology
(2017)
26,
451
(DOI: 10.1007/s13562-017-0407-9)
Orthologue chemical space and its influence on target prediction.
LH Mervin
– Bioinformatics
(2017)
34,
72
(DOI: 10.1093/bioinformatics/btx525)
Fast, Quantitative and Variant Enabled Mapping of Peptides to Genomes
CN Schlaffner, GJ Pirklbauer, A Bender, JS Choudhary
– Cell Syst
(2017)
5,
152
(DOI: 10.1016/j.cels.2017.07.007)
Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors
F Svensson, A Bender, D Bailey
– J Med Chem
(2017)
61,
1415
(DOI: 10.1021/acs.jmedchem.7b00404)
Prediction of synergistic drug combinations
ZB Weinstein, A Bender, M Cokol
– Current Opinion in Systems Biology
(2017)
4,
24
(DOI: 10.1016/j.coisb.2017.05.005)
Towards understanding polyol additive effects on the pH shift-induced aggregation of a monoclonal antibody using high throughput screening and quantitative structure-activity modeling.
O-O Oyetayo, O Méndez-Lucio, A Bender, H Kiefer
– Int J Pharm
(2017)
530,
165
(DOI: 10.1016/j.ijpharm.2017.07.059)
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)
12,
1593
(DOI: 10.1021/acschembio.7b00209)
Drug Repurposing Review
D Cavalla, E Oerton, A Bender
(2017)
1-8,
11
(DOI: 10.1016/b978-0-12-409547-2.12283-8)
Discovery and optimization of 3-(4-aryl/heteroarylsulfonyl)piperazin-1-yl)-6-(piperidin-1-yl)pyridazines as novel, CNS penetrant pan-muscarinic antagonists
AM Bender, RL Weiner, VB Luscombe, S Ajmera, HP Cho, S Chang, X Zhan, AL Rodriguez, CM Niswender, DW Engers, TM Bridges, PJ Conn, CW Lindsley
– Bioorganic and Medicinal Chemistry Letters
(2017)
27,
3576
(DOI: 10.1016/j.bmcl.2017.05.042)
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
– Journal of Medicinal Chemistry
(2017)
60,
3902
(DOI: 10.1021/acs.jmedchem.7b00204)
Identification of Novel Class of TriazoloThiadiazoles 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
(DOI: 10.1186/s12885-017-3214-8)
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 Neurol
(2017)
17,
58
(DOI: 10.1186/s12883-017-0838-x)
3D proteochemometrics: using three-dimensional information of proteins and ligands to address aspects of the selectivity of serine proteases.
V Subramanian, QU Ain, H Henno, L-O Pietilä, JE Fuchs, P Prusis, A Bender, G Wohlfahrt
– RSC Medicinal Chemistry
(2017)
8,
1037
(DOI: 10.1039/c6md00701e)
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
– Journal of chemical information and modeling
(2017)
57,
468
(DOI: 10.1021/acs.jcim.6b00725)
Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction.
F Svensson, U Norinder, A Bender
– Journal of Chemical Information and Modeling
(2017)
57,
439
(DOI: 10.1021/acs.jcim.6b00532)
A fragment profiling approach to inhibitors of the orphan $\textit{M. tuberculosis}$ P450 CYP144A1
MADELINE Kavanagh, J Chenge, AZEDINE Zoufir, K McLean, AG Coyne, ANDREAS Bender, A Munro, C Abell
– Biochemistry
(2017)
56,
1559
(DOI: 10.1021/acs.biochem.6b00954)

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