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Small molecules

Side-by-side comparison of published small molecule inhibitors against thapsigargin-induced store-operated Ca²⁺ entry in HEK293 cells

Katherine Norman, Karen E. Hemmings, Heba Shawer, Hollie L. Appleby, Alan J. Burnett, Nurasyikin Hamzah, Rajendra Gosain, Emily M. Woodhouse, David J. Beech, Richard Foster, Marc A. Bailey

published 23 Jan 2024

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Comprehensive metabolomics of Philippine Stichopus cf. horrens reveals diverse classes of valuable small molecules for biomedical applications

Vicenzo Paolo M. Torreno, Ralph John Emerson J. Molino, Hiyas A. Junio, Eizadora T. Yu

published 06 Dec 2023

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Small molecule inhibitor of tau self-association in a mouse model of tauopathy: A preventive study in P301L tau JNPL3 mice

Eliot J. Davidowitz, Patricia Lopez, Heidy Jimenez, Leslie Adrien, Peter Davies, James G. Moe

published 09 Aug 2023

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High-throughput screening identifies cell cycle-associated signaling cascades that regulate a multienzyme glucosome assembly in human cells

Danielle L. Schmitt, Patricia Dranchak, Prakash Parajuli, Dvir Blivis, Ty Voss, Casey L. Kohnhorst, Minjoung Kyoung, James Inglese, Songon An

published 04 Aug 2023

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How important are concurrent vehicle control groups in (sub)chronic non-human primate toxicity studies conducted in pharmaceutical development? An opportunity to reduce animal numbers

Lars Mecklenburg, Sarah Lenz, Georg Hempel

published 03 Aug 2023

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CCX559 is a potent, orally-administered small molecule PD-L1 inhibitor that induces anti-tumor immunity

Kathleen M. C. Sullivan, Marta Vilalta, Linda S. Ertl, Yu Wang, Carolyn Dunlap, Karen Ebsworth, Bin N. Zhao, Shijie Li, Yibin Zeng, Zhenhua Miao, Pingchen Fan, Venkat Mali, Christopher Lange, Darren McMurtrie, Ju Yang, Rebecca Lui, Ryan Scamp, Vicky Chhina, Alice Kumamoto, Simon Yau, Ton Dang, Ashton Easterday, Shirley Liu, Shichang Miao, Israel Charo, Thomas J. Schall, Penglie Zhang

published 07 Jun 2023

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Highly multiplexed selection of RNA aptamers against a small molecule library

Brent Townshend, Matias Kaplan, Christina D. Smolke

published 15 Sep 2022

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Combining empirical knowledge, in silico molecular docking and ADMET profiling to identify therapeutic phytochemicals from Brucea antidysentrica for acute myeloid leukemia

Lemessa Etana Bultum, Gemechu Bekele Tolossa, Doheon Lee

published 27 Jul 2022

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Predicting compound-protein interaction using hierarchical graph convolutional networks

Danh Bui-Thi, Emmanuel Rivière, Pieter Meysman, Kris Laukens

published 21 Jul 2022

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Memory augmented recurrent neural networks for de-novo drug design

Naveen Suresh, Neelesh Chinnakonda Ashok Kumar, Srikumar Subramanian, Gowri Srinivasa

published 23 Jun 2022

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Drug discovery of small molecules targeting the higher-order hTERT promoter G-quadruplex

Robert C. Monsen, Jon M. Maguire, Lynn W. DeLeeuw, Jonathan B. Chaires, John O. Trent

published 16 Jun 2022

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Targeting mitochondrial DNA polymerase gamma for selective inhibition of MLH1 deficient colon cancer growth

Berna Somuncu, Aysegul Ekmekcioglu, Fatma Merve Antmen, Tugce Ertuzun, Emre Deniz, Nazli Keskin, Joon Park, Ilgu Ece Yazici, Busra Simsek, Batu Erman, Whitney Yin, Burak Erman, Meltem Muftuoglu

published 03 Jun 2022

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PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking

Shannon T. Smith, Laura Shub, Jens Meiler

published 31 May 2022

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