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Small molecules

Effect of airway clearance therapies on mucociliary clearance in adults with cystic fibrosis: A randomized controlled trial

Aaron Trimble, Kirby Zeman, Jihong Wu, Agathe Ceppe, William Bennett, Scott Donaldson

published 20 May 2022

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Aurintricarboxylic acid is a canonical disruptor of the TAZ-TEAD transcriptional complex

Kepeng Che, Ajaybabu V. Pobbati, Caleb N. Seavey, Yuriy Fedorov, Anton A. Komar, Ashley Burtscher, Shuang Ma, Brian P. Rubin

published 13 Apr 2022

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Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations

Que-Huong Tran, Quoc-Thai Nguyen, Nguyen-Quynh-Huong Vo, Tan Thanh Mai, Thi-Thuy-Nga Tran, Thanh-Dao Tran, Minh-Tri Le, Dieu-Thuong Thi Trinh, Khac-Minh Thai

published 06 Apr 2022

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Automated fitting of transition state force fields for biomolecular simulations

Taylor R. Quinn, Himani N. Patel, Kevin H. Koh, Brandon E. Haines, Per-Ola Norrby, Paul Helquist, Olaf Wiest

published 10 Mar 2022

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Interaction between β-lactoglobulin and EGCG under high-pressure by molecular dynamics simulation

Yechuan Huang, Xicai Zhang, Huayi Suo

published 21 Dec 2021

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Budesonide promotes airway epithelial barrier integrity following double-stranded RNA challenge

Clara Rimmer, Savas Hetelekides, Sophia I. Eliseeva, Steve N. Georas, Janelle M. Veazey

published 06 Dec 2021

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Peritoneal dialysis modality transition and impact on phosphate and potassium serum levels

Daniela Peruzzo, Murilo Guedes, John W. Larkin, Guilherme Yokoyama, Taynara Lopes dos Santos, Roberto Pecoits-Filho, Silvia Carreira Ribeiro, Alfonso Ramos, Pasqual Barretti, Thyago Proença de Moraes, on behalf of the BRAZPD Investigators

published 15 Oct 2021

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Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

R. V. Sriram Uday, Rajdip Misra, Annaram Harika, Sandip Dolui, Achintya Saha, Uttam Pal, V. Ravichandiran, Nakul C. Maiti

published 10 Sep 2021

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Synthetic modified Fezf2 mRNA (modRNA) with concurrent small molecule SIRT1 inhibition enhances refinement of cortical subcerebral/corticospinal neuron identity from mouse embryonic stem cells

Cameron Sadegh, Wataru Ebina, Anthony C. Arvanites, Lance S. Davidow, Lee L. Rubin, Jeffrey D. Macklis

published 02 Sep 2021

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A novel small molecule LLL12B inhibits STAT3 signaling and sensitizes ovarian cancer cell to paclitaxel and cisplatin

Ruijie Zhang, Xiaozhi Yang, Dana M. Roque, Chenglong Li, Jiayuh Lin

published 28 Apr 2021

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POT1 stability and binding measured by fluorescence thermal shift assays

Lynn W. DeLeeuw, Robert C. Monsen, Vytautas Petrauskas, Robert D. Gray, Lina Baranauskiene, Daumantas Matulis, John O. Trent, Jonathan B. Chaires

published 30 Mar 2021

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Development and application of high-throughput screens for the discovery of compounds that disrupt ErbB4 signaling: Candidate cancer therapeutics

Richard L. Cullum, Lauren M. Lucas, Jared I. Senfeld, John T. Piazza, Logan T. Neel, Kanupriya Whig, Ling Zhai, Mackenzie H. Harris, Cristina C. Rael, Darby C. Taylor, Laura J. Cook, David P. Kaufmann, Christopher P. Mill, Megan A. Jacobi, Forrest T. Smith, Mark Suto, Robert Bostwick, Ram B. Gupta, Allan E. David, David J. Riese, II

published 30 Dec 2020

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The effects of selected biologics and a small molecule on Health-Related Quality of Life in adult plaque psoriasis patients: A systematic review and meta-analysis

Anna Karpińska-Mirecka, Joanna Bartosińska, Dorota Krasowska

published 03 Dec 2020

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