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Yusuf Hamied Department of Chemistry

 

Publications by Professor 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
(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 Neurology
(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
– MedChemComm
(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)
Cancer Cell Line Profiler (CCLP): a webserver for the prediction of compound activity across the NCI60 panel
I Cortés-Ciriano, D Murrell, B Chetrit, A Bender, T Malliavin, P Ballester
(2017)
105478
(DOI: 10.1101/105478)
Neighbours of cancer-related proteins have key influence on pathogenesis and could increase the drug target space for anticancer therapies.
D Módos, KC Bulusu, D Fazekas, J Kubisch, J Brooks, I Marczell, PM Szabó, T Vellai, P Csermely, K Lenti, A Bender, T Korcsmáros
– npj Systems Biology and Applications
(2017)
3,
2
(DOI: 10.1038/s41540-017-0003-6)
Modelling compound cytotoxicity using conformal prediction and PubChem HTS data.
F Svensson, U Norinder, A Bender
– Toxicology research
(2017)
6,
73
(DOI: 10.1039/c6tx00252h)
Rational design and evaluation of multi-target ligands at A1R, A2AR and PDE10A with therapeutic potential for neurodegenerative diseases
L Kalash, I Winfield, S Carvalho, G Ladds, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
254,
$\textit{In silico}$ 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
– Journal of Molecular Graphics and Modelling
(2017)
71,
70
(DOI: 10.1016/j.jmgm.2016.10.021)
Novel Adamantanyl-Based Thiadiazolyl Pyrazoles Targeting EGFR in Triple-Negative Breast Cancer
A Sebastian, V Pandey, CD Mohan, YT Chia, S Rangappa, J Mathai, CP Baburajeev, S Paricharak, LH Mervin, KC Bulusu, JE Fuchs, A Bender, S Yamada, Basappa, PE Lobie, KS Rangappa
– ACS omega
(2016)
1,
1412
(DOI: 10.1021/acsomega.6b00251)
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)
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)
Current Trends in Drug Sensitivity Prediction.
I Cortes-Ciriano, LH Mervin, A Bender
– Current pharmaceutical design
(2016)
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
(2016)
97,
151
(DOI: 10.1016/j.ejps.2016.11.016)
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening
S Paricharak, O Méndez-Lucio, A Chavan Ravindranath, A Bender, AP IJzerman, GJP van Westen
– Briefings in bioinformatics
(2016)
19,
bbw105
(DOI: 10.1093/bib/bbw105)
Predicting Genes Involved in Human Cancer Using Network Contextual Information.
H Rahmani, H Blockeel, A Bender
– Journal of integrative bioinformatics
(2016)
9,
44
(DOI: 10.1515/jib-2012-210)
Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR
N Aniceto, AA Freitas, A Bender, T Ghafourian
– Molecular Informatics
(2016)
35,
514
(DOI: 10.1002/minf.201600036)

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