Publications by authors named "David Dalgarno"

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Author Correction: High-throughput prediction of protein conformational distributions with subsampled AlphaFold2.
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, George P Lisi, Brenda M Rubenstein

Nat Commun· April 2024

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High-throughput prediction of protein conformational distributions with subsampled AlphaFold2.
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, George P Lisi, Brenda M Rubenstein

Nat Commun· March 2024

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Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold 2.
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, George P Lisi, Brenda M Rubenstein

bioRxiv· December 2023

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Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold2.
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, George P Lisi, Brenda M Rubenstein

ArXiv· July 2023

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Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Wei-Sheng Huang, Feng Li, Yongjin Gong, Yun Zhang, Willmen Youngsaye, David C Dalgarno

Bioorg Med Chem Lett· January 2023

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Mobocertinib (TAK-788): A Targeted Inhibitor of Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Francois Gonzalvez, Sylvie Vincent, Theresa E Baker, Alexandra E Gould, Shuai Li, David Dalgarno

Cancer Discov· July 2021

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The Potent ALK Inhibitor Brigatinib (AP26113) Overcomes Mechanisms of Resistance to First- and Second-Generation ALK Inhibitors in Preclinical Models.
Sen Zhang, Rana Anjum, Rachel Squillace, Sara Nadworny, Tianjun Zhou, David Dalgarno

Clin Cancer Res· November 2016

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Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
Wei-Sheng Huang, Shuangying Liu, Dong Zou, Mathew Thomas, Yihan Wang, David Dalgarno

J Med Chem· May 2016

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Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
Stephan G Zech, Anna Kohlmann, Tianjun Zhou, Feng Li, Rachel M Squillace, David C Dalgarno

J Med Chem· January 2016

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Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
Anna Kohlmann, Stephan G Zech, Feng Li, Tianjun Zhou, Rachel M Squillace, David C Dalgarno

J Med Chem· February 2013

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Application of MM-GB/SA and WaterMap to SRC Kinase Inhibitor Potency Prediction.
Anna Kohlmann, Xiaotian Zhu, David Dalgarno

ACS Med Chem Lett· February 2012

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Crizotinib-resistant mutants of EML4-ALK identified through an accelerated mutagenesis screen.
Sen Zhang, Frank Wang, Jeffrey Keats, Xiaotian Zhu, Yaoyu Ning, David Dalgarno

Chem Biol Drug Des· December 2011

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Identification of novel rapamycin derivatives as low-level impurities in active pharmaceutical ingredients.
Stephan G Zech, Michael Carr, Qurish K Mohemmad, Narayana I Narasimhan, Christopher Murray, David C Dalgarno

J Antibiot (Tokyo)· September 2011

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Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.
Mathew Thomas, Wei-Sheng Huang, David Wen, Xiaotian Zhu, Yihan Wang, David C Dalgarno

Bioorg Med Chem Lett· June 2011

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Structural mechanism of the Pan-BCR-ABL inhibitor ponatinib (AP24534): lessons for overcoming kinase inhibitor resistance.
Tianjun Zhou, Lois Commodore, Wei-Sheng Huang, Yihan Wang, Mathew Thomas, David C Dalgarno

Chem Biol Drug Des· January 2011

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Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant.
Wei-Sheng Huang, Chester A Metcalf, Raji Sundaramoorthi, Yihan Wang, Dong Zou, David C Dalgarno

J Med Chem· June 2010

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AP24163 inhibits the gatekeeper mutant of BCR-ABL and suppresses in vitro resistance.
Mohammad Azam, John T Powers, William Einhorn, Wei-Sheng Huang, William C Shakespeare, David Dalgarno

Chem Biol Drug Des· February 2010

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Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Tianjun Zhou, Lois Commodore, Wei-Sheng Huang, Yihan Wang, Tomi K Sawyer, David C Dalgarno

Chem Biol Drug Des· January 2010

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AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Thomas O'Hare, William C Shakespeare, Xiaotian Zhu, Christopher A Eide, Victor M Rivera, David C Dalgarno

Cancer Cell· November 2009

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9-(Arenethenyl)purines as dual Src/Abl kinase inhibitors targeting the inactive conformation: design, synthesis, and biological evaluation.
Wei-Sheng Huang, Xiaotian Zhu, Yihan Wang, Mohammad Azam, David Wen, David C Dalgarno

J Med Chem· August 2009

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Novel N9-arenethenyl purines as potent dual Src/Abl tyrosine kinase inhibitors.
Yihan Wang, William C Shakespeare, Wei-Sheng Huang, Raji Sundaramoorthi, Scott Lentini, David Dalgarno

Bioorg Med Chem Lett· September 2008

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SAR of carbon-linked, 2-substituted purines: synthesis and characterization of AP23451 as a novel bone-targeted inhibitor of Src tyrosine kinase with in vivo anti-resorptive activity.
William C Shakespeare, Yihan Wang, Regine Bohacek, Terry Keenan, Raji Sundaramoorthi, David Dalgarno

Chem Biol Drug Des· February 2008

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Crystal structure of the T315I mutant of AbI kinase.
Tianjun Zhou, Lois Parillon, Feng Li, Yihan Wang, Jeff Keats, David Dalgarno

Chem Biol Drug Des· September 2007

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SRC inhibitors in metastatic bone disease.
Brendan F Boyce, Lianping Xing, Zhenqiang Yao, Teruhito Yamashita, William C Shakespeare, David C Dalgarno

Clin Cancer Res· October 2006

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Antiangiogenic and antitumor effects of SRC inhibition in ovarian carcinoma.
Liz Y Han, Charles N Landen, Jose G Trevino, Jyotsnabaran Halder, Yvonne G Lin, David C Dalgarno

Cancer Res· September 2006

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