Citations (20)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (4)
Mahesh Samantaray, Ramya Pattabiraman, T. P. Krishna Murthy, Amutha Ramaswamy, Manikanta Murahari, Swati Krishna & S. Birendra Kumar. (2023) Structure-based virtual screening of natural compounds against wild and mutant (R1155K, A1156T and D1168A) NS3-4A protease of Hepatitis C virus. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
Read now
Read now
Yaping Li, Xingyong Liu, Shuqun Zhang, Liangliang Wang, Li Zhang & Zhili Zuo. (2022) Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations. Journal of Biomolecular Structure and Dynamics 40:3, pages 1172-1181.
Read now
Read now
Zhe Jin, Chao Zhang, Miao Liu, Simeng Jiao, Jing Zhao, Xiaoping Liu, Huangquan Lin, David Chi-cheong Wan & Chun Hu. (2021) Synthesis, biological activity, molecular docking studies of a novel series of 3-Aryl-7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as the acetylcholinesterase inhibitors. Journal of Biomolecular Structure and Dynamics 39:7, pages 2478-2489.
Read now
Read now
Yinli Gao, Hanxun Wang, Jian Wang & Maosheng Cheng. (2020) In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation. Journal of Biomolecular Structure and Dynamics 38:14, pages 4119-4133.
Read now
Read now
Articles from other publishers (16)
Andrei-Flavius Radu, Simona Gabriela Bungau, Andrei Paul Negru, Bogdan Uivaraseanu & Mihaela Alexandra Bogdan. (2023) Novel Potential Janus Kinase Inhibitors with Therapeutic Prospects in Rheumatoid Arthritis Addressed by In Silico Studies. Molecules 28:12, pages 4699.
Crossref
Crossref
Zhenwu Yang, Yujia Tian, Yue Kong, Yushan Zhu & Aixia Yan. (2022) Classification of JAK1 Inhibitors and SAR Research by Machine Learning Methods. Artificial Intelligence in the Life Sciences 2, pages 100039.
Crossref
Crossref
Nan Wang, Wenjie Liu, Lijun Zhou, Wenwu Liu, Xu Liang, Xin Liu, Zihua Xu, Tianming Zhong, Qiong Wu, Xinming Jiao, Jiangxia Chen, Xinyue Ning, Xiaowen Jiang & Qingchun Zhao. (2022) Design, Synthesis, and Biological Evaluation of Notopterol Derivatives as Triple Inhibitors of AChE/BACE1/GSK3β for the Treatment of Alzheimer’s Disease. ACS Omega 7:36, pages 32131-32152.
Crossref
Crossref
Nahid Fatema, Vijjulatha Manga, Lingala Yamini, Salman Ahmad Khan & Qasim Ullah. (2022) Pharmacophore Based Virtual Screening and Docking of Different Aryl Sulfonamide Derivatives of 5HT7R Antagonist. Journal of Molecular Docking 2:1, pages 1-15.
Crossref
Crossref
Sathya Babu, Santhosh Kumar Nagarajan, Sruthy Sathish, Vir Singh Negi, Honglae Sohn & Thirumurthy Madhavan. (2022) Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches. Frontiers in Pharmacology 13.
Crossref
Crossref
Maria Galvez-Llompart, Riccardo Ocello, Laura Rullo, Serena Stamatakos, Irene Alessandrini, Riccardo Zanni, Iñaki Tuñón, Andrea Cavalli, Sanzio Candeletti, Matteo Masetti, Patrizia Romualdi & Maurizio Recanatini. (2021) Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach. Journal of Chemical Information and Modeling 61:6, pages 3091-3108.
Crossref
Crossref
Michela Sperti, Marta Malavolta, Gloria Ciniero, Simone Borrelli, Marco Cavaglià, Stefano Muscat, Jack Adam Tuszynski, Antonella Afeltra, Domenico Paolo Emanuele Margiotta & Luca Navarini. (2021) JAK inhibitors in immune-mediated rheumatic diseases: From a molecular perspective to clinical studies. Journal of Molecular Graphics and Modelling 104, pages 107789.
Crossref
Crossref
Jiaolong Wang, Wenwen Chen, Hong Zhong, Yong Luo, Lilin Zhang, Lin He, Chunjie Wu & Liang Li. (2021) Identify of promising isoquinolone JNK1 inhibitors by combined application of 3D-QSAR, molecular docking and molecular dynamics simulation approaches. Journal of Molecular Structure 1225, pages 129127.
Crossref
Crossref
Yuzhou Huang, Hanxun Wang, Huibin Wang, Rui Wen, Xiaohui Geng, Tianci Huang, Jiyue Shi, Xiujun Wang & Jian Wang. (2020) Structure-based virtual screening of natural products as potential stearoyl-coenzyme a desaturase 1 (SCD1) inhibitors. Computational Biology and Chemistry 86, pages 107263.
Crossref
Crossref
Zhe Jin, Ying Wang, Xiao-Fei Yu, Qi-Qi Tan, Shi-Shao Liang, Tai Li, Hong Zhang, Pang-Chui Shaw, Jian Wang & Chun Hu. (2020) Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation. Computational Biology and Chemistry 85, pages 107241.
Crossref
Crossref
Anand Balupuri, Pavithra K. Balasubramanian & Seung Joo Cho. (2020) 3D-QSAR, docking, molecular dynamics simulation and free energy calculation studies of some pyrimidine derivatives as novel JAK3 inhibitors. Arabian Journal of Chemistry 13:1, pages 1052-1078.
Crossref
Crossref
Wenjuan Zhang, Sichen Song, Hanxun Wang, Qiu Wang, Dan Li, Shunzhe Zheng, Zhuangyan Xu, Haotian Zhang, Jian Wang & Jin Sun. (2019) In vivo irreversible albumin-binding near-infrared dye conjugate as a naked-eye and fluorescence dual-mode imaging agent for lymph node tumor metastasis diagnosis. Biomaterials 217, pages 119279.
Crossref
Crossref
Yingying Li, Jiale Peng, Penghua Li, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang & Zhili Zuo. (2019) Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. Computational Biology and Chemistry 79, pages 165-176.
Crossref
Crossref
Mingxing Wang, Ying Wang, Dejiang Kong, Hailun Jiang, Jian Wang & Maosheng Cheng. (2018) In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations. Computational Biology and Chemistry 77, pages 214-225.
Crossref
Crossref
Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddique, Li Zhang & Zhili Zuo. (2018) Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1. Computational Biology and Chemistry 76, pages 53-60.
Crossref
Crossref
Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan & Vijjulatha Manga. (2017) Pharmacophore modeling, 3D-QSAR, docking, and molecular dynamics simulation on topoisomerase IV inhibitors of wild type Staphylococcus aureus. Structural Chemistry 29:2, pages 593-605.
Crossref
Crossref