Citations (20)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (9)
Jiangheng Zhao, Min Liu, Jieying Zang, Shuangshuang Yang, Ruiyou Chen, Xin Zhao & Lina Ding. (2022) Molecular docking, 3D-QASR and molecular dynamics simulations of thiazoles Pin1 inhibitors. Journal of Biomolecular Structure and Dynamics 40:23, pages 12699-12713.
Read now
Read now
Saba Rezvani, Ahmad Ebadi & Nima Razzaghi-Asl. (2022) In silico identification of potential Hsp90 inhibitors via ensemble docking, DFT and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 40:21, pages 10665-10676.
Read now
Read now
Jiangheng Zhao, Jieying Zang, Jing Yang, Qi-Bing Gao, Ying Yan, Chaoya Ma, Yujie Chen, Lina Ding & Hong-Min Liu. (2022) Investigating the binding mechanism of piperidinyl ureas inhibitors based on the UBC12-DCN1 interaction by 3D-QSAR, molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 40:6, pages 2674-2688.
Read now
Read now
Xi Gu, Ying Wang, Mingxing Wang, Jian Wang & Ning Li. (2021) Computational investigation of imidazopyridine analogs as protein kinase B (Akt1) allosteric inhibitors by using 3D-QSAR, molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 39:1, pages 63-78.
Read now
Read now
Pouria Shirvani & Afshin Fassihi. (2020) Molecular modelling study on pyrrolo[2,3-b]pyridine derivatives as c-Met kinase inhibitors: a combined approach using molecular docking, 3D-QSAR modelling and molecular dynamics simulation. Molecular Simulation 46:16, pages 1265-1280.
Read now
Read now
Ya-Ya Liu, Ting-Ting Ding, Xiao-Yan Feng, Wei-Ren Xu & Xian-Chao Cheng. (2020) Virtual identification of novel peroxisome proliferator-activated receptor (PPAR) α/δ dual antagonist by 3D-QSAR, molecule docking, and molecule dynamics simulation. Journal of Biomolecular Structure and Dynamics 38:14, pages 4143-4161.
Read now
Read now
Qingxiu He, Han Chu, Yuxuan Wang, Haiqiong Guo, Yuanqiang Wang, Siyi Wang, Zhiwei Feng, Xiang-Qun Xie, Yong Hu, Haibin Liu & Zhihua Lin. (2020) In silico design novel vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 38:14, pages 4313-4324.
Read now
Read now
Ya-Ya Liu, Xiao-Yan Feng, Wen-Qing Jia, Zhi Jing, Wei-Ren Xu & Xian-Chao Cheng. (2020) Virtual identification of novel PPARα/γ dual agonists by 3D-QSAR, molecule docking and molecular dynamics studies. Journal of Biomolecular Structure and Dynamics 38:9, pages 2672-2685.
Read now
Read now
Zhi-Zheng Wang, Jing Yang, Xu-Dong Sun, Chao-Ya Ma, Qi-Bing Gao, Lina Ding & Hong-Min Liu. (2019) Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 37:13, pages 3482-3495.
Read now
Read now
Articles from other publishers (11)
Kun Li, Shuang Hong, Zhenwu Yu, Zeyu Hong, Yaru Sun, Jiagao Cheng, Liangfu Tang, Yong Wang, Xin Qi & Zhijin Fan. (2023) Computation-Directed Molecular Design, Synthesis, and Fungicidal Activity of Succinate Dehydrogenase Inhibitors. Journal of Agricultural and Food Chemistry.
Crossref
Crossref
Zhenwu Yu, Yuting Huang, Jiagao Cheng, Kun Li, Zeyu Hong, Jinzhou Ren, Haolin Yuan, Liangfu Tang, Zhihong Wang & Zhijin Fan. (2023)
3D-QSAR Combination with Molecular Dynamics Simulations to Effectively Design the Active Ryanodine Receptor Agonists against
Spodoptera frugiperda
. Journal of Agricultural and Food Chemistry 71:44, pages 16504-16520.
Crossref
Crossref
Mohammed Er-rajy, Mohamed El fadili, Hamada Imtara, Aamir Saeed, Abid Ur Rehman, Sara Zarougui, Shaef A. Abdullah, Ahmad Alahdab, Mohammad Khalid Parvez & Menana Elhallaoui. (2023) 3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer. Life 13:1, pages 127.
Crossref
Crossref
Mina Ardestani, Zahra Khorsandi, Fariba Keshavarzipour, Siavash Iravani, Hojjat Sadeghi-Aliabadi & Rajender S. Varma. (2022) Heterocyclic Compounds as Hsp90 Inhibitors: A Perspective on Anticancer Applications. Pharmaceutics 14:10, pages 2220.
Crossref
Crossref
Walter Fiedler, Fabian Freisleben, Jasmin Wellbrock & Karl N. Kirschner. (2022) Mebendazole’s Conformational Space and Its Predicted Binding to Human Heat-Shock Protein 90. Journal of Chemical Information and Modeling 62:15, pages 3604-3617.
Crossref
Crossref
Ayanda M. Magwenyane, Samuel C. Ugbaja, Daniel G. Amoako, Anou M. Somboro, Rene B. Khan & Hezekiel M. Kumalo. (2022) Heat Shock Protein 90 (HSP90) Inhibitors as Anticancer Medicines: A Review on the Computer-Aided Drug Discovery Approaches over the Past Five Years. Computational and Mathematical Methods in Medicine 2022, pages 1-20.
Crossref
Crossref
Heng Zhang, Xi Gu, Churen Meng, Di Zhou, Gang Chen, Jian Wang, Yang Liu & Ning Li. (2020) Computational investigation of 4,5-diphenyl-1H-pyrrole-3-carboxylic acid derivatives as B-cell lymphoma-extra large (Bcl-xL) inhibitors by using 3D-QSAR, molecular docking, and molecular dynamics simulations. Structural Chemistry 32:3, pages 1005-1018.
Crossref
Crossref
Monimoy Banerjee, Ishita Hatial, Bradley M. Keegan & Brian S.J. Blagg. (2021) Assay design and development strategies for finding Hsp90 inhibitors and their role in human diseases. Pharmacology & Therapeutics 221, pages 107747.
Crossref
Crossref
Ayanda M. Magwenyane, Ndumiso N. Mhlongo, Monsurat M. Lawal, Daniel G. Amoako, Anou M. Somboro, Sphelele C. Sosibo, Letitia Shunmugam, Rene B. Khan & Hezekiel M. Kumalo. (2020) Understanding the Hsp90 N-Terminal Dynamics: Structural and Molecular Insights into the Therapeutic Activities of Anticancer Inhibitors Radicicol (RD) and Radicicol Derivative (NVP-YUA922). Molecules 25:8, pages 1785.
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
Mingxing Wang, Wei Li, Ying Wang, Yongbo Song, Jian Wang & Maosheng Cheng. (2018) In silico insight into voltage-gated sodium channel 1.7 inhibition for anti-pain drug discovery. Journal of Molecular Graphics and Modelling 84, pages 18-28.
Crossref
Crossref