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Yusuf Hamied Department of Chemistry

 
Towards understanding antimicrobial activity, cytotoxicity and the mode of action of dichapetalins A and M using in silico and in vitro studies.
MA Chama, D Modos, LH Mervin, KB-A Owusu, DM Ayine-Tora, B Egyir, L Paemka, G Yankson, M Ohashi, AM Afzal, A Bender
– Toxicon
(2021)
193,
28
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions.
M-A Trapotsi, LH Mervin, AM Afzal, N Sturm, O Engkvist, IP Barrett, A Bender
– J Chem Inf Model
(2021)
61,
1444
Structure‐based identification of dual ligands at the A2AR and PDE10A with anti‐proliferative effects in lung cancer cell‐lines
L Kalash, I Winfield, D Safitri, M Bermudez, S Carvalho, R Glen, G Ladds, A Bender
– Journal of cheminformatics
(2021)
13,
17
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet.
A Bender, I Cortés-Ciriano
– Drug Discovery Today
(2021)
26,
511
Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- and Proliferation-Related Assays.
S Seal, H Yang, L Vollmers, A Bender
– Chemical research in toxicology
(2021)
34,
422
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data used for AI in drug discovery
A Bender, I Cortes-Ciriano
– Drug Discovery Today
(2021)
A demonstration of improved constraints on primordial gravitational waves with delensing
PAR Ade, Z Ahmed, M Amiri, AJ Anderson, JE Austermann, JS Avva, D Barkats, RB Thakur, JA Beall, AN Bender, BA Benson, F Bianchini, CA Bischoff, LE Bleem, JJ Bock, H Boenish, E Bullock, V Buza, JE Carlstrom, CL Chang, JR Cheshire, HC Chiang, TL Chou, R Citron, J Connors, CC Moran, J Cornelison, TM Crawford, AT Crites, M Crumrine, A Cukierman, T De Haan, M Dierickx, MA Dobbs, L Duband, W Everett, S Fatigoni, JP Filippini, S Fliescher, J Gallicchio, EM George, TS Germaine, N Goeckner-Wald, DC Goldfinger, J Grayson, N Gupta, G Hall, M Halpern, NW Halverson, S Harrison, S Henderson, JW Henning, SR Hildebrandt, GC Hilton, GP Holder, WL Holzapfel, JD Hrubes, N Huang, J Hubmayr, H Hui, KD Irwin, J Kang, KS Karkare, E Karpel, S Kefeli, SA Kernasovskiy, L Knox, JM Kovac, CL Kuo, K Lau, AT Lee, EM Leitch, D Li, A Lowitz, A Manzotti, JJ McMahon, KG Megerian, SS Meyer, M Millea, LM Mocanu, L Moncelsi, J Montgomery, A Nadolski, T Namikawa, T Natoli, CB Netterfield, HT Nguyen, JP Nibarger, G Noble, V Novosad, R O'Brient, RW Ogburn, Y Omori, S Padin, S Palladino, S Patil, T Prouve, C Pryke, B Racine, CL Reichardt
– Physical Review D
(2021)
103,
022004
Prediction and mechanistic analysis of drug-induced liver injury (DILI) based on chemical structure.
A Liu, M Walter, P Wright, A Bartosik, D Dolciami, A Elbasir, H Yang, A Bender
– Biology direct
(2021)
16,
6
Chapter 5. Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2021)
2021-January,
63
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports
IA Smit, AM Afzal, CHG Allen, F Svensson, T Hanser, A Bender
– Chem Res Toxicol
(2020)
34,
365
New Associations between Drug-Induced Adverse Events in Animal Models and Humans Reveal Novel Candidate Safety Targets
KA Giblin, D Basili, AM Afzal, L Rosenbrier-Ribeiro, N Greene, I Barrett, SJ Hughes, A Bender
– Chem Res Toxicol
(2020)
34,
438
Transcriptomics predicts compound synergy in drug and natural product treated glioblastoma cells.
L-L Pruteanu, L Kopanitsa, D Módos, E Kletnieks, E Samarova, A Bender, LD Gomez, DS Bailey
– PloS one
(2020)
15,
e0239551
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein–Ligand Predictions
LH Mervin, AM Afzal, O Engkvist, A Bender
– Journal of chemical information and modeling
(2020)
60,
4546
Identification of Intrinsic Drug Resistance and Its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens.
I Ayestaran, A Galhoz, E Spiegel, B Sidders, JR Dry, F Dondelinger, A Bender, U McDermott, F Iorio, MP Menden
– Patterns
(2020)
1,
100065
Systematic analysis of protein targets associated with adverse events of drugs from clinical trials and post-marketing reports
I Smit, A Afzal, C Allen, F Svensson, T Hanser, A Bender
(2020)
QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction.
I Cortés-Ciriano, C Škuta, A Bender, D Svozil
– Journal of cheminformatics
(2020)
12,
41
QSAR-derived affinity fingerprints (part 1): Fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping
C Škuta, I Cortés-Ciriano, W Dehaen, P Kříž, GJP van Westen, IV Tetko, A Bender, D Svozil
– J Cheminform
(2020)
12,
39
EMDIP: An Entropy Measure to Discover Important Proteins in PPI networks.
H Bashiri, H Rahmani, V Bashiri, D Módos, A Bender
– Computers in biology and medicine
(2020)
120,
103740
Neurochemical underpinning of hemodynamic response to neuropsychiatric drugs: A meta- and cluster analysis of preclinical studies
LH Mervin, E Mitricheva, NK Logothetis, A Bifone, A Bender, HR Noori
– J Cereb Blood Flow Metab
(2020)
41,
874
Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using In Silico and In Vitro Methods
P Paudel, SH Seong, FM Fauzi, A Bender, HA Jung, JS Choi
– ACS Omega
(2020)
5,
7705