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Advances in nuclear magnetic resonance for drug discovery

Pages 1077-1098 | Published online: 28 Aug 2009

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Stephan Beisken, Michael Eiden & Reza M Salek. (2015) Getting the right answers: understanding metabolomics challenges. Expert Review of Molecular Diagnostics 15:1, pages 97-109.
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Christian Bergsdorf & Johannes Ottl. (2010) Affinity-based screening techniques: their impact and benefit to increase the number of high quality leads. Expert Opinion on Drug Discovery 5:11, pages 1095-1107.
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Deusdedit Tusubira, Jonasi Munezero, Peter Chinedu Agu, Clement Olusoji Ajayi, Joseph Oloro, Nathiim Namale, Frank Ssedyabane, Caroline Kiwanuka Nakiguli, Abayomi E. Adegboyega & Patrick Maduabuchi Aja. (2023) In-vivo and in-silico studies revealed the molecular mechanisms of Colocasia esculenta phenolics as novel chemotherapy against benign prostatic hyperplasia via inhibition of 5α-reductase and α1-adrenoceptor. In Silico Pharmacology 11:1.
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Olaniyan T. Olugbemi & Adetunji O. Charles. 2023. Phytochemistry, Computational Tools and Databases in Drug Discovery. Phytochemistry, Computational Tools and Databases in Drug Discovery 181 193 .
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Manuel G. Ricardo, Ameena M. Ali, Jacek Plewka, Ewa Surmiak, Beata Labuzek, Constantinos G. Neochoritis, Jack Atmaj, Lukasz Skalniak, Ran Zhang, Tad A. Holak, Matthew Groves, Daniel G. Rivera & Alexander Dömling. (2020) Multicomponent Peptide Stapling as a Diversity‐Driven Tool for the Development of Inhibitors of Protein–Protein Interactions. Angewandte Chemie 132:13, pages 5273-5279.
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Ramon Vlag, M. Yagiz Unver, Tommaso Felicetti, Aleksandra Twarda‐Clapa, Fatima Kassim, Cagdas Ermis, Constantinos G. Neochoritis, Bogdan Musielak, Beata Labuzek, Alexander Dömling, Tad A. Holak & Anna K. H. Hirsch. (2019) Optimized Inhibitors of MDM2 via an Attempted Protein‐Templated Reductive Amination. ChemMedChem 15:4, pages 370-375.
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Daniel F. Wyss & Edward R. Zartler. 2020. Structural Biology in Drug Discovery. Structural Biology in Drug Discovery 325 345 .
Lukasz Skalniak, Aleksandra Twarda‐Clapa, Constantinos G. Neochoritis, Ewa Surmiak, Monika Machula, Aneta Wisniewska, Beata Labuzek, Ameena M. Ali, Sylwia Krzanik, Grzegorz Dubin, Matthew Groves, Alexander Dömling & Tad A. Holak. (2019) A fluorinated indole‐based MDM 2 antagonist selectively inhibits the growth of p53 wt osteosarcoma cells . The FEBS Journal 286:7, pages 1360-1374.
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A. R. Caseiro, G. Ivanova, S. S. Pedrosa, M. V. Branquinho, P. Georgieva, P. P. Barbosa, J. D. Santos, R. Magalhães, P. Teixeira, T. Pereira & A. C. Maurício. (2018) Human umbilical cord blood plasma as an alternative to animal sera for mesenchymal stromal cells in vitro expansion – A multicomponent metabolomic analysis. PLOS ONE 13:10, pages e0203936.
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María Ángeles Canales & Juan Félix Espinosa. 2017. Biophysical Techniques in Drug Discovery. Biophysical Techniques in Drug Discovery 23 43 .
Katarzyna Guzik, Krzysztof M. Zak, Przemyslaw Grudnik, Katarzyna Magiera, Bogdan Musielak, Ricarda Törner, Lukasz Skalniak, Alexander Dömling, Grzegorz Dubin & Tad A. Holak. (2017) Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. Journal of Medicinal Chemistry 60:13, pages 5857-5867.
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Aleksandra Twarda-Clapa, Sylwia Krzanik, Katarzyna Kubica, Katarzyna Guzik, Beata Labuzek, Constantinos G. Neochoritis, Kareem Khoury, Kaja Kowalska, Miroslawa Czub, Grzegorz Dubin, Alexander Dömling, Lukasz Skalniak & Tad A. Holak. (2017) 1,4,5-Trisubstituted Imidazole-Based p53–MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. Journal of Medicinal Chemistry 60:10, pages 4234-4244.
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Ewa Surmiak, Aleksandra Twarda-Clapa, Krzysztof M. Zak, Bogdan Musielak, Marcin D. Tomala, Katarzyna Kubica, Przemyslaw Grudnik, Mariusz Madej, Mateusz Jablonski, Jan Potempa, Justyna Kalinowska-Tluscik, Alexander Dömling, Grzegorz Dubin & Tad A. Holak. (2016) A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction. ACS Chemical Biology 11:12, pages 3310-3318.
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Michel Frédérich, Bernard Pirotte, Marianne Fillet & Pascal de Tullio. (2016) Metabolomics as a Challenging Approach for Medicinal Chemistry and Personalized Medicine. Journal of Medicinal Chemistry 59:19, pages 8649-8666.
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Emmanuel Quansah & Thomas K. Karikari. (2016) Potential role of metabolomics in the improvement of research on traditional African medicine. Phytochemistry Letters 17, pages 270-277.
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Jaime L. Stark, Hamid R. Eghbalnia, Woonghee Lee, William M. Westler & John L. Markley. (2016) NMRmix: A Tool for the Optimization of Compound Mixtures in 1D 1 H NMR Ligand Affinity Screens . Journal of Proteome Research 15:4, pages 1360-1368.
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Ruth Vinall. 2016. Applying Pharmacogenomics in Therapeutics. Applying Pharmacogenomics in Therapeutics 75 94 .
Bradley Worley, Nicholas J. Sisco & Robert Powers. (2015) Statistical removal of background signals from high-throughput 1H NMR line-broadening ligand-affinity screens. Journal of Biomolecular NMR 63:1, pages 53-58.
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Krishna Saxena & Harald Schwalbe. 2007. eMagRes. eMagRes 305 314 .
Leonor Puchades-Carrasco & Antonio Pineda-Lucena. 2007. eMagRes. eMagRes 241 254 .
Justine Leenders, Michel Frédérich & Pascal de Tullio. (2015) Nuclear magnetic resonance: a key metabolomics platform in the drug discovery process. Drug Discovery Today: Technologies 13, pages 39-46.
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G. A. Nagana Gowda & Daniel Raftery. (2014) Quantitating Metabolites in Protein Precipitated Serum Using NMR Spectroscopy. Analytical Chemistry 86:11, pages 5433-5440.
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Michela Ghitti, Giovanna Musco & Andrea Spitaleri. 2014. Protein Conformational Dynamics. Protein Conformational Dynamics 271 304 .
Ben Davis. 2013. Protein-Ligand Interactions. Protein-Ligand Interactions 389 413 .
Xin Xu & Yulia Vugmeyster. (2012) Challenges and Opportunities in Absorption, Distribution, Metabolism, and Excretion Studies of Therapeutic Biologics. The AAPS Journal 14:4, pages 781-791.
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Dinesh Kumar, Anmol Gautam & Ramakrishna V. Hosur. (2012) A unified NMR strategy for high-throughput determination of backbone fold of small proteins. Journal of Structural and Functional Genomics 13:4, pages 201-212.
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Laurel O. Sillerud & Richard S. Larson. 2012. Bioinformatics and Drug Discovery. Bioinformatics and Drug Discovery 195 266 .
Jun Hu & Gunther Kern. 2012. Antibiotic Discovery and Development. Antibiotic Discovery and Development 985 1007 .
Bo Zhang, James Hodgson, Walter Hancock & Robert Powers. (2011) An inexpensive high-throughput nuclear magnetic resonance tube cleaning apparatus. Analytical Biochemistry 416:2, pages 234-236.
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Dik-Lung Ma, Daniel Shiu-Hin Chan, Paul Lee, Maria Hiu-Tung Kwan & Chung-Hang Leung. (2011) Molecular modeling of drug?DNA interactions: Virtual screening to structure-based design. Biochimie 93:8, pages 1252-1266.
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Doreen Jia Yi Ng, Kishore Kumar Pasikanti & Eric Chun Yong Chan. (2010) Trend analysis of metabonomics and systematic review of metabonomics-derived cancer marker metabolites. Metabolomics 7:2, pages 155-178.
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David S Hage, Eric D Dodds, Liangcheng Du & Robert Powers. (2011) Research Spotlight: Research in bioanalysis and separations at the University of Nebraska – Lincoln. Bioanalysis 3:10, pages 1065-1076.
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Claudio Dalvit, Alvar D. Gossert, Jérôme Coutant & Martial Piotto. (2011) Rapid acquisition of 1 H and 19 F NMR experiments for direct and competition ligand-based screening . Magnetic Resonance in Chemistry 49:4, pages 199-202.
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Jaime L. Stark & Robert Powers. 2012. NMR of Proteins and Small Biomolecules. NMR of Proteins and Small Biomolecules 1 34 .

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