Publications | Page 4 | Department of Chemistry

Nano-MoO 3 -mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching

KH Kumar, S Paricharak, CD Mohan, H Bharathkumar, GP Nagabhushana, DK Rajashekar, GT Chandrappa, A Bender, Basappa, KS Rangappa

– New Journal of Chemistry

(2016)

40,

2189

(DOI: 10.1039/c5nj02729b)

Simultaneous Prediction of four ATP-binding Cassette Transporters' Substrates Using Multi-label QSAR

N Aniceto, AA Freitas, A Bender, T Ghafourian

– Mol Inform

(2016)

35,

514

(DOI: 10.1002/minf.201600036)

Current Trends in Drug Sensitivity Prediction

I Cortes-Ciriano, LH Mervin, A Bender

– CURRENT PHARMACEUTICAL DESIGN

(2016)

22,

6918

(DOI: 10.1174/1381611811666161016154430)

Nano-cuprous oxide catalyzed one-pot synthesis of a carbazole-based STAT3 inhibitor: a facile approach via intramolecular C-N bond formation reactions

CP Baburajeev, CD Mohan, GS Patil, S Rangappa, V Pandey, A Sebastian, JE Fuchs, A Bender, PE Lobie, Basappa, KS Rangappa

– RSC Advances

(2016)

36775

(DOI: 10.1039/C6RA01906D)

Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes.

SZ Mohamad Zobir, F Mohd Fauzi, S Liggi, G Drakakis, X Fu, T-P Fan, A Bender

– Evidence-based complementary and alternative medicine : eCAM

(2016)

2016,

(DOI: 10.1155/2016/2106465)

Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling Pathway

CD Mohan, V Srinivasa, S Rangappa, L Mervin, S Mohan, S Paricharak, S Baday, F Li, MK Shanmugam, A Chinnathambi, ME Zayed, SA Alharbi, A Bender, G Sethi, Basappa, KS Rangappa

– PLoS One

(2016)

11,

e0153155

(DOI: 10.1371/journal.pone.0153155)

Improved Chemical Structure-Activity Modeling Through Data Augmentation

I Cortes-Ciriano, A Bender

– J Chem Inf Model

(2015)

55,

2682

(DOI: 10.1021/acs.jcim.5b00570)

ARWAR: A network approach for predicting Adverse Drug Reactions

H Rahmani, G Weiss, O Méndez-Lucio, A Bender

– Computers in biology and medicine

(2016)

68,

101

(DOI: 10.1016/j.compbiomed.2015.11.005)

How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.

I Cortés-Ciriano, A Bender

– ChemMedChem

(2016)

11,

(DOI: 10.1002/cmdc.201500424)

Corrigendum to “Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors” [Eur. J. Med. Chem. 101 (2015) 573–583]

D de Lucia, OM Lucio, B Musio, A Bender, M Listing, S Dennhardt, A Koeberle, U Garscha, R Rizzo, S Manfredini, O Werz, SV Ley

– European Journal of Medicinal Chemistry

(2015)

103,

223

(DOI: 10.1016/j.ejmech.2015.08.050)

Development of Novel Triazolo-Thiadiazoles from Heterogeneous “Green” Catalysis as Protein Tyrosine Phosphatase 1B Inhibitors

CP Baburajeev, C Dhananjaya Mohan, H Ananda, S Rangappa, JE Fuchs, S Jagadish, K Sivaraman Siveen, A Chinnathambi, S Ali Alharbi, ME Zayed, J Zhang, F Li, G Sethi, KS Girish, A Bender, Basappa, KS Rangappa

– Scientific reports

(2015)

14195

(DOI: 10.1038/srep14195)

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.

I Cortés-Ciriano, GJP van Westen, G Bouvier, M Nilges, JP Overington, A Bender, TE Malliavin

– Bioinformatics (Oxford, England)

(2016)

32,

btv529

(DOI: 10.1093/bioinformatics/btv529)

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

– Org Biomol Chem

(2015)

13,

10681

(DOI: 10.1039/C5OB01479D)

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives.

KC Bulusu, R Guha, DJ Mason, RPI Lewis, E Muratov, Y Kalantar Motamedi, M Cokol, A Bender

– Drug Discov Today

(2016)

21,

225

(DOI: 10.1016/j.drudis.2015.09.003)

Which kinase to hit in NCI-60? From a selectivity problem to a multitarget solution

OM Lucio, AC Ravindranath, Q Ul Ain, K Birchall, C Mpamhanga, S Knapp, A Bender

– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

(2015)

250,

Synthesis of 1,2-benzisoxazole tethered 1,2,3-triazoles that exhibit anticancer activity in acute myeloid leukemia cell lines by inhibiting histone deacetylases, and inducing p21 and tubulin acetylation

N Ashwini, M Garg, CD Mohan, JE Fuchs, S Rangappa, S Anusha, TR Swaroop, KS Rakesh, D Kanojia, V Madan, A Bender, HP Koeffler, Basappa, KS Rangappa

– Bioorganic & medicinal chemistry

(2015)

23,

6157

(DOI: 10.1016/j.bmc.2015.07.069)

Design, synthesis and evaluation of semi-synthetic triazole-containing caffeic acid analogues as 5-lipoxygenase inhibitors

D De Lucia, OM Lucio, B Musio, A Bender, M Listing, S Dennhardt, A Koeberle, U Garscha, R Rizzo, S Manfredini, O Werz, SV Ley

– Eur J Med Chem

(2015)

103,

573

(DOI: 10.1016/j.ejmech.2015.07.011)

Screening of quinoline, 1,3-benzoxazine, and 1,3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in silico binding mode analysis.

H Bharathkumar, CD Mohan, S Rangappa, T Kang, HK Keerthy, JE Fuchs, NH Kwon, A Bender, S Kim, Basappa, KS Rangappa

– Org Biomol Chem

(2015)

13,

9381

(DOI: 10.1039/c5ob00791g)