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Small molecules

Identification of core therapeutic targets for Monkeypox virus and repurposing potential of drugs: A WEB prediction approach

Huaichuan Duan, Quanshan Shi, Xinru Yue, Zelan Zhang, Ling Liu, Yueteng Wang, Yujie Cao, Zuoxin Ou, Li Liang, Jianping Hu, Hubing Shi

published 06 Dec 2024

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Administration of novobiocin and apomorphine mitigates cholera toxin mediated cellular toxicity: Lessons from cholera toxin yeast model system

Sonali Eknath Bhalerao, Himanshu Sen, Saumya Raychaudhuri

published 05 Dec 2024

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The endometrial cancer A230V-ALK5 (TGFBR1) mutant attenuates TGF-β signaling and exhibits reduced in vitro sensitivity to ALK5 inhibitors

Eun-Jeong Yu, Daphne W. Bell

published 22 Nov 2024

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Identification of small molecule agonists of fetal hemoglobin expression for the treatment of sickle cell disease

Jian-Ping Yang, Rachel Toughiri, Anshu P. Gounder, Dan Scheibe, Matt Petrus, Sarah J. Fink, Sebastien Vallee, Jon Kenniston, Nikolaos Papaioannou, Steve Langston, Narender R. Gavva, Shane R. Horman

published 06 Nov 2024

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Structure-based identification of small-molecule inhibitors that target the DIII domain of the Dengue virus glycoprotein E pan-serotypically

Prakhar Agrawal, Hemant Arya, Ganesan Senthil Kumar

published 25 Oct 2024

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Feasibility of the inhibitor development for cancer: A systematic approach for drug design

Yu Jiang, Ling Liu, Yichao Geng, Qingsong Li, Daxian Luo, Li Liang, Wei Liu, Weiwei Ouyang, Jianping Hu

published 22 Aug 2024

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Sustained intestinal epithelial monolayer wound closure after transient application of a FAK-activating small molecule

Sema Oncel, Qinggang Wang, Ahmed Adham R. Elsayed, Emilie E. Vomhof-DeKrey, Nicholas D. Brown, Mikhail Y. Golovko, Svetlana A. Golovko, Ricardo Gallardo-Macias, Vadim J. Gurvich, Marc D. Basson

published 16 Aug 2024

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Discovery of a potent, selective, and tumor-suppressing antibody antagonist of adenosine A_2A receptor

Linya Wang, Pankaj Garg, Kara Y. Chan, Tom Z. Yuan, Ana G. Lujan Hernandez, Zhen Han, Sean M. Peterson, Emily Tuscano, Crystal Safavi, Eric Kwan, Mouna Villalta, Melina Mathur, Joyce Lai, Fumiko Axelrod, Colby A. Souders, Chloe Emery, Aaron K. Sato

published 05 Jun 2024

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Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I

Elena Cubero, Ana Ruano, Aida Delgado, Xavier Barril, Sara Morales, Ana Trapero, Lorenzo Leoni, Manolo Bellotto, Roberto Maj, Beatriz Calvo-Flores Guzmán, Natalia Pérez-Carmona, Ana Maria Garcia-Collazo

published 20 May 2024

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Gaussian accelerated molecular dynamics simulations facilitate prediction of the permeability of cyclic peptides

Nicolas Frazee, Kyle R. Billlings, Blake Mertz

published 23 Apr 2024

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An immunochromatographic strip sensor for marbofloxacin residues

Xingdong Yang, Qingmei Li, Sharon Kwee, Jifei Yang, Qianqian Zhang, Xiaofei Hu

published 29 Mar 2024

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Characterization of covalent inhibitors that disrupt the interaction between the tandem SH2 domains of SYK and FCER1G phospho-ITAM

Frances M. Bashore, Vittorio L. Katis, Yuhong Du, Arunima Sikdar, Dongxue Wang, William J. Bradshaw, Karolina A. Rygiel, Tina M. Leisner, Rod Chalk, Swati Mishra, C. Andrew Williams, Opher Gileadi, Paul E. Brennan, Jesse C. Wiley, Jake Gockley, Gregory A. Cary, Gregory W. Carter, Jessica E. Young, Kenneth H. Pearce, Haian Fu, the Emory-Sage-SGC TREAT-AD Center , Alison D. Axtman

published 15 Feb 2024

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Exploring NCATS in-house biomedical data for evidence-based drug repurposing

Fang Liu, Andrew Patt, Chloe Chen, Ruili Huang, Yanji Xu, Ewy A. Mathé, Qian Zhu

published 25 Jan 2024

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