Discovery of a novel RSK2 inhibitor for the treatment of metastatic pancreatic cancer by Chi-Hsiu Chung, Kai-Cheng Hsu, Ming-Min Huang, Huang-Ju Tu, Shiow-Lin Pan, Min-Wu Chao

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Discovering a novel dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitor and its impact on tau phosphorylation and amyloid-β formation by Huang-Ju Tu, Min-Wu Chao, Cheng-Chung Lee, Chao-Shiang Peng, Yi-Wen Wu, Tony Eight Lin, Yu-Wei Chang, Shih-Chung Yen, Kai-Cheng Hsu, Shiow-Lin Pan, Wei-Chun HuangFu

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Harnessing Natural Product Compounds to Target Dormancy Survival Regulator (DosR) in Latent Tuberculosis Infection (LTBI): An In Silico Strategy Against Dormancy by Mandeep Chouhan, Mukesh Kumar, Vivek Dhar Dwivedi, Vivek Kumar Kashyap, Himanshu Narayan Singh, Sanjay Kumar

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Identification and Biological Evaluation of a Novel CLK4 Inhibitor Targeting Alternative Splicing in Pancreatic Cancer Using Structure‐Based Virtual Screening by Chun‐Lin Yang, Yi‐Wen Wu, Huang‐Ju Tu, Yun‐Hsuan Yeh, Tony Eight Lin, Tzu‐Ying Sung, Mu‐Chun Li, Shih‐Chung Yen, Jui‐Hua Hsieh, Ming‐Chin Yu, Sen‐Yung Hsieh, Hsing‐Pang Hsieh, Shiow‐Lin Pan, Kai‐Cheng Hsu

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Targeting PrfA from Listeria monocytogenes: A computational drug repurposing approach by Xabier Arias-Moreno

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Computational investigation of potential natural compounds as inhibitors of monkeypox virus cysteine proteinase by Riya Nalwa, Anis Ahmad Chaudhary, Mandeep Chouhan, Prashant Kumar Tiwari, Saurabh Gupta, Hassan Ahmed Rudayni, Vivek Dhar Dwivedi, Vivek Dhar Dwivedi, Sanjay Kumar, Sanjay Kumar, Sanjay Kumar

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Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway by Narjes Noori Goodarzi, Narjes Noori Goodarzi, Mahshid Khazani Asforooshani, Mahshid Khazani Asforooshani, Behzad Shahbazi, Nayereh Rezaie Rahimi, Nayereh Rezaie Rahimi, Farzad Badmasti

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Valorization of a Natural Compound Library in Exploring Potential Marburg Virus VP35 Cofactor Inhibitors via an In Silico Drug Discovery Strategy by Mohamed Mouadh Messaoui, Mebarka Ouassaf, Nada Anede, Kannan R. R. Rengasamy, Shafi Ullah Khan, Bader Y. Alhatlani

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Discovery and biological evaluation of a novel and highly potent JAK2 inhibitor for the treatment of triple negative breast cancer by Yingxiang Miao, Shudan Yang, Fang Zhang, Jindong Li, Yan Zhang

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Investigation of potential KRASG12D inhibitors: a comparative study between MRTX1133 and natural compounds via computational structural biology approaches by Safiye Merve Bostancioglu, Ahmet Acar

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Thonningianin A disrupts pA104R−DNA binding and inhibits African swine fever virus replication by Quan-jie Li, Hui-han Shao, Lin-lin Zheng, Qian Liu, Chen-chao Huo, Dong-rong Yi, Tao Feng, Shan Cen

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Leveraging AlphaFold2 structural space exploration for generating drug target structures in structure-based virtual screening by Keisuke Uchikawa, Kairi Furui, Masahito Ohue

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Halloysite Nanotube-Based Delivery of Pyrazolo[3,4-<i>d</i>]pyrimidine Derivatives for Prostate and Bladder Cancer Treatment by Marina Massaro, Rebecca Ciani, Giancarlo Grossi, Gianfranco Cavallaro, Raquel de Melo Barbosa, Marta Falesiedi, Cosimo G. Fortuna, Anna Carbone, Silvia Schenone, Rita Sánchez-Espejo, César Viseras, Riccardo Vago, Serena Riela

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Discovery of a selective PI3Kα inhibitor via structure-based virtual screening for targeted colorectal cancer therapy by Hussam Albassam, Omar Almutairi, Majed Alnasser, Faisal Altowairqi, Faris Almutairi, Saad Alobid

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Discovery of novel PARP1/NRP1 dual-targeting inhibitors with strong antitumor potency by Juanjuan Liu, Yifei Geng, Su Jiang, Lixia Guan, Junyi Gao, Miao-Miao Niu, Jindong Li

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