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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

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, DS Murrell, B Chetrit, A Bender, T Malliavin, PJ 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 Syst Biol Appl
(2017)
3,
2
(DOI: 10.1038/s41540-017-0003-6)
Modeling Polypharmacological Profiles by Affinity Fingerprinting
A Peragovics, Z Simon, A Malnasi-Csizmadia, A Bender
– Current Pharmaceutical Design
(2017)
22,
6885
(DOI: 10.2174/1381612822666160831104718)
Current Trends in Drug Sensitivity Prediction
I Cortes-Ciriano, LH Mervin, A Bender
– Curr Pharm Des
(2017)
22,
6918
(DOI: 10.2174/1381612822666161026154430)
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)
$\textit{In silico}$ 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 & modelling
(2017)
71,
70
(DOI: 10.1016/j.jmgm.2016.10.021)
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,
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)
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
– Brief Bioinform
(2016)
19,
277
(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)
Analysis of Differential Efficacy and Affinity of GABA<sub>A</sub>(α1/α2) Selective Modulators
QU Ain, RM Owen, K Omoto, R Torella, KC Bulusu, DC Pryde, RC Glen, JE Fuchs, A Bender
– Mol Pharm
(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 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
(2016)
197,
61
(DOI: 10.1016/j.jep.2016.07.058)
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 and Medicinal Chemistry Letters
(2016)
26,
3300
(DOI: 10.1016/j.bmcl.2016.05.049)

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