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Drug screening

From in silico prediction to experimental validation: Identification of drugs and novel synergistic combinations that inhibit growth of inflammatory breast cancer cells

Esraa A. Salim, Xiaojia Ji, Michael Tarpley, Maria S. Dixon, Weifan Zheng, John E. Scott, Kevin P. Williams

published 16 Sep 2026

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2-methoxyestradiol is effective in 2D and 3D models of NCI-H2170 lung squamous cell carcinoma cells

Paul Mellor, Stephanie Kendall, Deborah H. Anderson

published 04 Aug 2026

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Binding Affinity Ranking at the Molecular Initiating Event (BARMIE): An open-source computational pipeline for the rapid screening of chemical interactions with steroid receptors from many species

Fernando Calahorro, Parsa Fouladi, Alessandro Pandini, Matloob Khushi, Yogendra Gaihre, Nic R. Bury

published 15 Jul 2026

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Identifying potential inhibitors for wild-type EGFR tyrosine kinase through a cross-talk pathway strategy and an in-silico drug repurposing method

Dorra Abdelmalek, Kawther Bedchich, Fahmi Smaoui, Salim Kraiem, Mohamed Ali Mosrati, Mohamed Sami Aifa

published 22 Jun 2026

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Structure-based pharmacophore modeling, high-throughput screening, and molecular dynamics identify a novel DrugBank-derived HIV-1 protease inhibitor

Ali Sultan Khazaal Nazal, Amjed Majid Rashid Alrashedi, Lamia Abdultef Risan Al-Iessa, Mustafa Abdulkadhim Hussein Ali Rabeea

published 12 Jun 2026

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Assessing the association between musculoskeletal injury and mental health in rugby players—A cross-sectional study

Mordicai Atinga, Jasmit Shah, Sarah Karanja, Mark Lutomia Lumbasi, Miriam Wambui Ndungu, Sarah Kiburi, James Ondiege, Njalalle Baraza

published 29 Apr 2026

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State impulsivity and substance use: A systematic review and meta-analysis protocol

Ashmita Mazumder, Suzanne Erb, Marc A. Fournier

published 07 Apr 2026

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Patient-derived organoids predict chemotherapy response of locally advanced gastric cancer

Miao Huang, Jiahui Chu, Wenbin Yu, Liliang Dou, Qiushi Wang, Fan Jiang, Meng Wei, Xiaohan Cui, Wen Zhao, Jianyuan Zhou, Song Li, Lian Liu

published 09 Mar 2026

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MLGT: A multimodal graph attention network for virtual screening of anti—Uveitis drugs

Yu Sun, Yihang Qin, Wenhao Chen

published 05 Mar 2026

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Protective effect of cannabinoid type II receptor ligand on bleomycin-induced pulmonary fibrosis in mice

Cheng Cao, Run-Lin Wang, Chen-xin Guo, Xiao-wei Xu, Jia-hui Wei, Wen-zhuo Cheng, Yi-zhe Yu, Jia-jie Shi, Zhi-wei Feng, Yan Chen

published 27 Feb 2026

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High-throughput screening of drug libraries identifies a new synergistic drug combination for the treatment of retinoblastoma

Po-Jen Tseng, Irina L. Sinenko, Marc Chambon, Damiano Banfi, Santiago Zugbi, María Belén Cancela, Kseniya A. Glinkina, Gerardo Turcatti, Christina Stathopoulos, Paula Schaiquevich, Francis L. Munier, Paul J. Dyson

published 25 Feb 2026

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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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A live cell biosensor protocol for high-resolution screening of therapy-resistant cancer cells

Viral D. Oza, Colin S. Williams, Jessica S. Blackburn

published 17 Feb 2026

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