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  • Currently displaying 361 - 380 of 561 publications
MOLPRINT 2D-based identification and synthesis of novel chromene based small molecules that target PLA2: validation through chemo- and bioinformatics approaches
HK Keerthy, HK Vivek, H Bharathkumar, S Rangappa, KC Bulusu, LH Mervin, JE Fuchs, BS Priya, Basappa, N Swamy S, A Bender, KS Rangappa
– RSC Advances
(2015)
5,
89797
(doi: 10.1039/c5ra13085a)
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
– Organic and Biomolecular Chemistry
(2015)
13,
10681
(doi: 10.1039/c5ob01479d)
Quantitative study of the generational changes among relationship habits in highly educated Hungarian population
C Földvári-Nagy, D Módos, HJ Feith, K Lenti
– New Medicine
(2015)
19,
100
(doi: 10.5604/14270994.1179855)
Novel synthetic coumarins that targets NF-κB in Hepatocellular carcinoma.
M Neelgundmath, KR Dinesh, CD Mohan, F Li, X Dai, KS Siveen, S Paricharak, DJ Mason, JE Fuchs, G Sethi, A Bender, KS Rangappa, O Kotresh, Basappa
– Bioorganic & medicinal chemistry letters
(2014)
25,
893
(doi: 10.1016/j.bmcl.2014.12.065)
Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts
S Liggi, G Drakakis, A Koutsoukas, I Cortes-Ciriano, P Martínez-Alonso, TE Malliavin, A Velazquez-Campoy, SC Brewerton, MJ Bodkin, DA Evans, RC Glen, JA Carrodeguas, A Bender
– Future Med Chem
(2014)
6,
2029
(doi: 10.4155/fmc.14.137)
Target Fishing: A Single-Label or Multi-Label Problem?
AM Afzal, HY Mussa, RE Turner, A Bender, RC Glen
– arXiv
(2014)
(link to publication)
Inhibition of Insulin-Regulated Aminopeptidase (IRAP) by Arylsulfonamides.
SR Borhade, U Rosenström, J Sävmarker, T Lundbäck, A Jenmalm-Jensen, K Sigmundsson, H Axelsson, F Svensson, V Konda, C Sköld, M Larhed, M Hallberg
– ChemistryOpen
(2014)
3,
256
(doi: 10.1002/open.201402027)
A community computational challenge to predict the activity of pairs of compounds.
M Bansal, J Yang, C Karan, MP Menden, JC Costello, H Tang, G Xiao, Y Li, J Allen, R Zhong, B Chen, M Kim, T Wang, LM Heiser, R Realubit, M Mattioli, MJ Alvarez, Y Shen, NCI-DREAM Community, D Gallahan, D Singer, J Saez-Rodriguez, Y Xie, G Stolovitzky, A Califano, NCI-DREAM Community
– Nature Biotechnology
(2014)
32,
1213
(doi: 10.1038/nbt.3052)
Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features
QU Ain, O Méndez-Lucio, ICO Ciriano, T Malliavin, GJP van Westen, A Bender
– Integrative biology : quantitative biosciences from nano to macro
(2014)
6,
1023
(doi: 10.1039/c4ib00175c)
Palladium(II)-catalyzed desulfitative synthesis of aryl ketones from sodium arylsulfinates and nitriles: scope, limitations, and mechanistic studies.
B Skillinghaug, C Sköld, J Rydfjord, F Svensson, M Behrends, J Sävmarker, PJR Sjöberg, M Larhed
– The Journal of Organic Chemistry
(2014)
79,
12018
(doi: 10.1021/jo501875n)
Development of a Novel Azaspirane That Targets the Janus Kinase-Signal Transducer and Activator of Transcription (STAT) Pathway in Hepatocellular Carcinoma in Vitro and in Vivo *
CD Mohan, H Bharathkumar, KC Bulusu, V Pandey, S Rangappa, JE Fuchs, MK Shanmugam, X Dai, F Li, A Deivasigamani, KM Hui, AP Kumar, PE Lobie, A Bender, Basappa, G Sethi, KS Rangappa
– J Biol Chem
(2014)
289,
34296
(doi: 10.1074/jbc.m114.601104)
Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling
GJP van Westen, A Bender, JP Overington
– Journal of Chemical Biology
(2014)
7,
119
(doi: 10.1007/s12154-014-0112-2)
Synthesis and Characterization of Novel 2-Amino-Chromene-Nitriles that Target Bcl-2 in Acute Myeloid Leukemia Cell Lines
HK Keerthy, M Garg, CD Mohan, V Madan, D Kanojia, R Shobith, S Nanjundaswamy, DJ Mason, A Bender, Basappa, KS Rangappa, HP Koeffler
– PLoS ONE
(2014)
9,
e107118
(doi: 10.1371/journal.pone.0107118)
Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis.
AC Ravindranath, N Perualila-Tan, A Kasim, G Drakakis, S Liggi, SC Brewerton, D Mason, MJ Bodkin, DA Evans, A Bhagwat, W Talloen, HWH Göhlmann, Z Shkedy, A Bender, QSTAR Consortium
– Mol Biosyst
(2014)
11,
86
(doi: 10.1039/c4mb00328d)
Novel Synthetic Biscoumarins Target Tumor Necrosis Factor-α in Hepatocellular Carcinoma in Vitro and in Vivo
HK Keerthy, CD Mohan, KS Siveen, JE Fuchs, S Rangappa, MS Sundaram, F Li, KS Girish, G Sethi, Basappa, A Bender, KS Rangappa
– The Journal of biological chemistry
(2014)
289,
31879
(doi: 10.1074/jbc.M114.593855)
Toxicity prediction using heterogeneous chemical and biological data sources
A Bender
– Toxicology Letters
(2014)
229,
s4
(doi: 10.1016/j.toxlet.2014.06.040)
Predicting Toxic Effects of Metabolites
A Bender
(2014)
397
(doi: 10.1002/9783527673261.ch16)
Novel benzoxazine-based aglycones block glucose uptake in vivo by inhibiting glycosidases
H Bharathkumar, MS Sundaram, S Jagadish, S Paricharak, M Hemshekhar, D Mason, K Kemparaju, KS Girish, Basappa, A Bender, KS Rangappa
– PloS one
(2014)
9,
e102759
(doi: 10.1371/journal.pone.0102759)
Proteochemometric modeling in a Bayesian framework
I Cortes-Ciriano, GJ van Westen, EB Lenselink, DS Murrell, A Bender, T Malliavin
– Journal of Cheminformatics
(2014)
6,
35
(doi: 10.1186/1758-2946-6-35)
A community effort to assess and improve drug sensitivity prediction algorithms.
JC Costello, LM Heiser, E Georgii, M Gönen, MP Menden, NJ Wang, M Bansal, M Ammad-ud-din, P Hintsanen, SA Khan, J-P Mpindi, O Kallioniemi, A Honkela, T Aittokallio, K Wennerberg, NCI DREAM Community, JJ Collins, D Gallahan, D Singer, J Saez-Rodriguez, S Kaski, JW Gray, G Stolovitzky
– Nature Biotechnology
(2014)
32,
1202
(doi: 10.1038/nbt.2877)

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