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Small molecules

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape

Qu Wang, Yu Hao Xu, Heng Jiang, Biao Deng, Zhu Liang

published 23 Feb 2026

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GATA4-targeted compounds induce apoptosis and diminish viability of hepatoblastoma cells

Sini M. Kinnunen, Katja Eloranta, Marjut Pihlajoki, Mika J. Välimäki, Saana Pohjavaara, Emilie Indersie, Stefano Cairo, Aarni Kuusinen, Heikki Ruskoaho, Markku Heikinheimo

published 11 Feb 2026

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Safety population size and duration of exposure prior to approval of new medicines: A database analysis of medicines centralised approved in the European Union between 2011 and 2023

Luísa Bouwman, Hubert Leufkens, Bruno Sepodes, Carla Torre

published 09 Feb 2026

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Clinical proof of concept for small molecule mediated inhibition of IL-17 in psoriasis

Richard B. Warren, Hamish J. A. Hunter, Kim A. Papp, Kenneth B. Gordon, Meina T. Tang, Jeffrey V. Enejosa, Kuan-Chieh Huang, Debasish Raha, Hashini M. Batugedara, Craig Skinner, Philip A. Kobel, Peter M. Rademacher, Nico Ghilardi, Paul Fatheree, John R. Jacobsen, Timothy T. Lu

published 23 Jan 2026

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Phenotypic profiling of small molecules using cell painting assay in HCT116 colorectal cancer cells

Velemir Lavrinenko, Ilona Donskaya, Vladimir Popov, Ekaterina Litau, Varvara Petrova, Stanislav Tyazhelnikov

published 29 Oct 2025

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Long-term functional rescue of trauma-induced vision loss by a novel, small molecule TrkB modulator

Shweta Modgil, Christopher L. Walker, Micah A. Chrenek, Hans E. Grossniklaus, Frank E. McDonald, P. Michael Iuvone

published 29 Sep 2025

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Understanding the evolving treatment landscape of hidradenitis suppurativa: An analysis of All of Us

Aditya K. Gupta, Vasiliki Economopoulos, Paradi Mirmirani, Renata Magalhaes

published 22 Aug 2025

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Study on the releasing regularity of asphalt fume and its suppression technology

Guang Yang, Yongli Xu, Xiaolei Jiao, Yiming Li

published 04 Aug 2025

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Mechanistic studies of PFKFB2 reveal a novel inhibitor of its kinase activity

Craig Eyster, Satoshi Matsuzaki, Atul Pranay, Jennifer R. Giorgione, Anna Faakye, Mostafa Ahmed, Kenneth M. Humphries

published 22 May 2025

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In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis

Muhammad Bilal Azmi, Han Yu, Arisha Sohail, Uzma Asif, Syed Danish Haseen Ahmed, Shamim Akhtar Qureshi, Mohnad Abdalla

published 14 May 2025

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Virtual screening and molecular dynamics simulation study of ATP-competitive inhibitors targeting mTOR protein

Mei-Yu Jin, Hao Yu, Qiong Deng, Zhu Wang, Jie-Yan Wang, Hao-Long Li, Hui Liang

published 05 May 2025

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Identification of potential riboswitch elements in Homo sapiens mRNA 5’UTR sequences using positive-unlabeled machine learning

William S Raymond, Jacob DeRoo, Brian Munsky

published 24 Apr 2025

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Mechanism of connexin channel inhibition by mefloquine and 2-aminoethoxydiphenyl borate

Pia Lavriha, Yufei Han, Xinyue Ding, Dina Schuster, Chao Qi, Anand Vaithia, Paola Picotti, Volodymyr M. Korkhov

published 31 Dec 2024

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