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Select item 108929841.

Novel Antineoplastic Inducers of Mitochondrial Apoptosis in Human Cancer Cells

Andreas J. Kesel

Molecules. 2024 Feb; 29(4): 914. Published online 2024 Feb 19. doi: 10.3390/molecules29040914

PMCID:: PMC10892984

Article PDF–47M

Select item 76156762.

Short-course combination treatment for experimental chronic Chagas disease

Silvia González, Richard J. Wall, John Thomas, Stephanie Braillard, Gino Brunori, Isabel Camino Díaz, Juan Cantizani, Sandra Carvalho, Pablo Castañeda Casado, Eric Chatelain, Ignacio Cotillo, Jose M. Fiandor, Amanda Fortes Francisco, David Grimsditch, Martine Keenan, John M. Kelly, Albane Kessler, Chiara Luise, Jon J. Lyon, Lorna MacLean, Maria Marco, J. Julio Martin, Maria S. Martinez, Christy Paterson, Kevin D. Read, Angel Santos-Villarejo, Fabio Zuccotto, Susan Wyllie, Tim J. Miles, Manu De Rycker

Sci Transl Med. Author manuscript; available in PMC 2024 Feb 29.

Published in final edited form as: Sci Transl Med. 2023 Dec 13; 15(726): eadg8105. Published online 2023 Dec 13. doi: 10.1126/scitranslmed.adg8105

PMCID:: PMC7615676

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Advancing research on compound weather and climate events via large ensemble model simulations

Emanuele Bevacqua, Laura Suarez-Gutierrez, Aglaé Jézéquel, Flavio Lehner, Mathieu Vrac, Pascal Yiou, Jakob Zscheischler

Nat Commun. 2023; 14: 2145. Published online 2023 Apr 14. doi: 10.1038/s41467-023-37847-5

PMCID:: PMC10104877

Article PDF–3.9M

Select item 93206074.

Synthesis, Biological Evaluation and Docking Studies of Ring-Opened Analogues of Ipomoeassin F

Sarah O’Keefe, Pratiti Bhadra, Kwabena B. Duah, Guanghui Zong, Levise Tenay, Lauren Andrews, Hayden Schneider, Ashley Anderson, Zhijian Hu, Hazim S. Aljewari, Belinda S. Hall, Rachel E. Simmonds, Volkhard Helms, Stephen High, Wei Q. Shi

Molecules. 2022 Jul; 27(14): 4419. Published online 2022 Jul 10. doi: 10.3390/molecules27144419

PMCID:: PMC9320607

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Select item 63472735.

Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach

Lilian Hernández Alvarez, Diego Enry Barreto Gomes, Jorge Enrique Hernández González, Pedro Geraldo Pascutti

PLoS One. 2019; 14(1): e0211227. Published online 2019 Jan 25. doi: 10.1371/journal.pone.0211227

PMCID:: PMC6347273

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Fast, simple and highly specific molecular detection of Vibrio alginolyticus pathogenic strains using a visualized isothermal amplification method

Yu Dong, Panpan Zhao, Li Chen, Huahua Wu, Xinxin Si, Xin Shen, Hui Shen, Yi Qiao, Shanyuan Zhu, Qiong Chen, Weiwei Jia, Jingquan Dong, Juan Li, Song Gao

BMC Vet Res. 2020; 16: 76. Published online 2020 Mar 4. doi: 10.1186/s12917-020-02297-4

PMCID:: PMC7057676

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Select item 97328887.

Analysis of lorlatinib analogs reveals a roadmap for targeting diverse compound resistance mutations in ALK-positive lung cancer

Aya Shiba-Ishii, Ted W Johnson, Ibiayi Dagogo-Jack, Mari Mino-Kenudson, Theodore R Johnson, Ping Wei, Scott L Weinrich, Michele A McTigue, Makeba A Walcott, Linh Nguyen-Phuong, Kristin Dionne, Adam Acker, Lesli A Kiedrowski, Andrew Do, Jennifer L Peterson, Jaimie L Barth, Beow Y Yeap, Justin F Gainor, Jessica J Lin, Satoshi Yoda, Aaron N Hata

Nat Cancer. Author manuscript; available in PMC 2022 Dec 20.

Published in final edited form as: Nat Cancer. 2022 Jun; 3(6): 710–722. Published online 2022 Jun 20. doi: 10.1038/s43018-022-00399-6

PMCID:: PMC9732888

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Abstract Book for the 27^th Congress of the European Hematology Association

Hemasphere. 2022 Jun; 6(Suppl ): 1-4130. Published online 2022 Jun 23. doi: 10.1097/01.HS9.0000852292.38263.b8

PMCID:: PMC9429973

Article PDF–184M

Select item 99011679.

How to approach machine learning-based prediction of drug/compound–target interactions

Heval Atas Guvenilir, Tunca Doğan

J Cheminform. 2023; 15: 16. Published online 2023 Feb 6. doi: 10.1186/s13321-023-00689-w

PMCID:: PMC9901167

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Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science

Sven Thamm, Marina K. Willwacher, Gary E. Aspnes, Tom Bretschneider, Nicholas F. Brown, Silke Buschbom-Helmke, Thomas Fox, Emanuele M. Gargano, Daniel Grabowski, Christoph Hoenke, Damian Matera, Katja Mueck, Stefan Peters, Sophia Reindl, Doris Riether, Matthias Schmid, Christofer S. Tautermann, Aaron M. Teitelbaum, Cornelius Trünkle, Thomas Veser, Martin Winter, Lars Wortmann

J Med Chem. 2023 Feb 23; 66(4): 2832–2850. Published online 2023 Feb 2. doi: 10.1021/acs.jmedchem.2c01884

PMCID:: PMC9969402

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Discovery and Characterization of Novel Antagonists of the Proinflammatory Orphan Receptor GPR84

Laura Jenkins, Sara Marsango, Sarah Mancini, Zobaer Al Mahmud, Angus Morrison, Stuart P. McElroy, Kirstie A. Bennett, Matt Barnes, Andrew B. Tobin, Irina G. Tikhonova, Graeme Milligan

ACS Pharmacol Transl Sci. 2021 Oct 8; 4(5): 1598–1613. Published online 2021 Sep 7. doi: 10.1021/acsptsci.1c00151

PMCID:: PMC8506611

Article PDF–9.7M

Select item 874702212.

Evaluation of Substituted Pyrazole-Based Kinase Inhibitors in One Decade (2011–2020): Current Status and Future Prospects

Mohammed I. El-Gamal, Seyed-Omar Zaraei, Moustafa M. Madkour, Hanan S. Anbar

Molecules. 2022 Jan; 27(1): 330. Published online 2022 Jan 5. doi: 10.3390/molecules27010330

PMCID:: PMC8747022

Article PDF–438M

Select item 862677513.

Anti-schistosomal activities of quinoxaline-containing compounds: From hit identification to lead optimisation

Gilda Padalino, Nelly El-Sakkary, Lawrence J. Liu, Chenxi Liu, Danielle S.G. Harte, Rachel E. Barnes, Edward Sayers, Josephine Forde-Thomas, Helen Whiteland, Marcella Bassetto, Salvatore Ferla, George Johnson, Arwyn T. Jones, Conor R. Caffrey, Iain Chalmers, Andrea Brancale, Karl F. Hoffmann

Eur J Med Chem. 2021 Dec 15; 226: 113823. doi: 10.1016/j.ejmech.2021.113823

PMCID:: PMC8626775

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Select item 865930114.

Protein domain-based prediction of drug/compound–target interactions and experimental validation on LIM kinases

Tunca Doğan, Ece Akhan Güzelcan, Marcus Baumann, Altay Koyas, Heval Atas, Ian R. Baxendale, Maria Martin, Rengul Cetin-Atalay

PLoS Comput Biol. 2021 Nov; 17(11): e1009171. Published online 2021 Nov 29. doi: 10.1371/journal.pcbi.1009171

PMCID:: PMC8659301

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Select item 627719815.

Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol

Kelly A Manthei, Shyh-Ming Yang, Bolormaa Baljinnyam, Louise Chang, Alisa Glukhova, Wenmin Yuan, Lita A Freeman, David J Maloney, Anna Schwendeman, Alan T Remaley, Ajit Jadhav, John JG Tesmer

eLife. 2018; 7: e41604. Published online 2018 Nov 27. doi: 10.7554/eLife.41604

PMCID:: PMC6277198

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Select item 507463916.

Chemical Genetics Uncovers Novel Inhibitors of Lignification, Including p-Iodobenzoic Acid Targeting CINNAMATE-4-HYDROXYLASE

Dorien Van de Wouwer, Ruben Vanholme, Raphaël Decou, Geert Goeminne, Dominique Audenaert, Long Nguyen, René Höfer, Edouard Pesquet, Bartel Vanholme, Wout Boerjan

Plant Physiol. 2016 Sep; 172(1): 198–220. Published online 2016 Aug 2. doi: 10.1104/pp.16.00430

PMCID:: PMC5074639

Article PDF–2.4M

Select item 815163017.

Duplex On-Site Detection of Vibrio cholerae and Vibrio vulnificus by Recombinase Polymerase Amplification and Three-Segment Lateral Flow Strips

Pei Wang, Lei Liao, Chao Ma, Xue Zhang, Junwei Yu, Longyu Yi, Xin Liu, Hui Shen, Song Gao, Qunwei Lu

Biosensors (Basel) 2021 May; 11(5): 151. Published online 2021 May 12. doi: 10.3390/bios11050151

PMCID:: PMC8151630

Article PDF–3.0M

Select item 1047744918.

A new ferrocene derivative blocks K-Ras localization and function by oxidative modification at His95

Kristen M Rehl, Jayaraman Selvakumar, Rhonda L Pitsch, Don Hoang, Kuppuswamy Arumugam, Sean W Harshman, Alemayehu A Gorfe, Kwang-Jin Cho

Life Sci Alliance. 2023 Nov; 6(11): e202302094. Published online 2023 Sep 4. doi: 10.26508/lsa.202302094

PMCID:: PMC10477449

Article PDF–4.9M

Select item 989261619.

New N-aryl-N-alkyl-thiophene-2-carboxamide compound enhances intracellular Ca²⁺ dynamics by increasing SERCA2a Ca²⁺ pumping

Roman Nikolaienko, Elisa Bovo, Samantha L. Yuen, Levy M. Treinen, Kaja Berg, Courtney C. Aldrich, David D. Thomas, Razvan L. Cornea, Aleksey V. Zima

Biophys J. 2023 Jan 17; 122(2): 386–396. Published online 2022 Dec 5. doi: 10.1016/j.bpj.2022.12.002

PMCID:: PMC9892616

Article PDF–1.4M

Select item 705980020.

Compound C Reducing Interferon Expression by Inhibiting cGAMP Accumulation

Junzhong Lai, Xuan Luo, Shuoran Tian, Xing Zhang, Shanlu Huang, Hanze Wang, Qiumei Li, Shaoli Cai, Qi Chen

Front Pharmacol. 2020; 11: 88. Published online 2020 Feb 28. doi: 10.3389/fphar.2020.00088

PMCID:: PMC7059800

Article PDF–2.9M

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PMC Images search for open chain compound

Figure 1

Molecular structures of the compound 14 in (A) cyclic form and (B) open chain form and compound 16.

Latent Tuberculosis: A Promising New Compound to Treat Non-Replicating and Intramacrophagic Mycobacteria

Biomedicines. 2022 Oct;10(10):2398.
Figure 3

Effect of analogues of C12:0-ceramide on raft stability as assessed from the effect of temperature on quenching of Lc-TMADPH by Tempo. Vesicles were composed of 19.5:18:37.5:25 SM:ceramide analogue:DOPC:chol. Key: Panel A: compound 1 (plus sign), compound 2 (open triangle), compound 3 (open circle) and C12:0 cer (filled circle); Panel B: compound 4 (open triangle), compound 5 (open circle) and compound 6 (plus sign) Results shown are the average values from duplicates. C12:0 = C12:0-ceramide

Effect of ceramide N-acyl chain and polar headgroup structure on the properties of ordered lipid domains (lipid rafts)

Biochim Biophys Acta. ;1768(9):2205-2212.
Fig. 1

Effect of chain length of the fatty acid coupled to ADAC in the displacement of [³H]PIA from rat cerebral cortex membranes. No. of carbon atoms in lipid: 8, capryloyi-ADAC, compound 6 (○); 10, caproyl-ADAC, compound 7 (△); 12, Iauroyl-ADAC, compound 8 (+); 18, mono-olefin, elaidoyl-ADAC, compound 10(△).

Adenosine analogs with covalently attached lipids have enhanced potency at A1-adenosine receptors

FEBS Lett. ;225(0):97-102.
Figure 2Structures of curcumin and its pentadienone analogues.

Ar = aryl group; n = carbon numbers, where n = 0, designating open chain pentadienone compound, and n = 2, 3 designating cyclopentadienone compound.

Curcumin as a Potent and Selective Inhibitor of 11β-Hydroxysteroid Dehydrogenase 1: Improving Lipid Profiles in High-Fat-Diet-Treated Rats

PLoS One. 2013;8(3):e49976.