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Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 13
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Research Article

Virtual identification of novel PPARα/γ dual agonists by scaffold hopping of saroglitazar

Wen-Qing JiaTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Zhi JingTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Xin LiuTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Xiao-Yan FengTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Ya-Ya LiuTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Shu-Qing WangTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, China
,
Wei-Ren XuTianjin Key Laboratory of Molecular Design and Drug Discovery, Tianjin Institute of Pharmaceutical Research, Tianjin, China
,
Jian-Wen LiuState Key Laboratory of Bioreactor Engineering & Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, ChinaCorrespondence[email protected]
&
Xian-Chao ChengTianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, ChinaCorrespondence[email protected]
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Pages 3496-3512 | Received 15 Jun 2017, Accepted 17 Sep 2017, Published online: 28 Oct 2017

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Xiao-Yan Feng, Ting-Ting Ding, Ya-Ya Liu, Wei-Ren Xu & Xian-Chao Cheng. (2021) In-silico identification of peroxisome proliferator-activated receptor (PPAR)α/γ agonists from Ligand Expo Components database. Journal of Biomolecular Structure and Dynamics 39:5, pages 1853-1864.
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Wen-Qing Jia, Ya-Ya Liu, Xiao-Yan Feng, Wei-Ren Xu & Xian-Chao Cheng. (2020) Discovery of novel and highly selective PI3Kδ inhibitors based on the p110δ crystal structure. Journal of Biomolecular Structure and Dynamics 38:8, pages 2499-2508.
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Jiayue Wang, Bohong Wang & Yan Zhang. (2020) Agonism activities of lyso-phosphatidylcholines (LPC) Ligands binding to peroxisome proliferator-activated receptor gamma (PPARγ). Journal of Biomolecular Structure and Dynamics 38:2, pages 398-409.
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Temitope Isaac Adelusi, Olawale Quadri Bolaji, Taiwo Ooreoluwa Ojo, Iyanu Paul Adegun & Seun Adebodun. (2023) Molecular Mechanics with Generalized Born Surface Area (MMGBSA) Calculations and Docking Studies Unravel some Antimalarial Compounds Using Heme O Synthase as Therapeutic Target. ChemistrySelect 8:48.
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Miao Miao, Xue Wang, Tian Liu, Yan-Jie Li, Wen-Qian Yu, Tong-Mei Yang & Shou-Dong Guo. (2023) Targeting PPARs for therapy of atherosclerosis: A review. International Journal of Biological Macromolecules 242, pages 125008.
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Wenqing Jia, Shuyu Luo, Wennan Zhao, Weiren Xu, Yuxu Zhong & Dexin Kong. (2022) Discovery of Novel PI3Kδ Inhibitors Based on the p110δ Crystal Structure. Molecules 27:19, pages 6211.
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Chuanming Zhang, Chao Zhang, Yanli Meng, Tai Li, Zhe Jin, Shicheng Hou & Chun Hu. (2022) Identification of natural compounds targeting SARS-CoV-2 Mpro by virtual screening and molecular dynamics simulations. Mendeleev Communications 32:3, pages 334-335.
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Jeevan Patra, Deepanmol Singh, Sapna Jain & Neeraj Mahindroo. 2021. Molecular Docking for Computer-Aided Drug Design. Molecular Docking for Computer-Aided Drug Design 271 294 .
Wen-Qing Jia, Xiao-Yan Feng, Ya-Ya Liu, Zhen-Zhen Han, Zhi Jing, Wei-Ren Xu & Xian-Chao Cheng. (2020) Identification of Phosphoinositide-3 Kinases Delta and Gamma Dual Inhibitors Based on the p110δ/γ Crystal Structure. Letters in Drug Design & Discovery 17:6, pages 772-786.
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Jayanta Dowarah & Ved Prakash Singh. (2020) Anti-diabetic drugs recent approaches and advancements. Bioorganic & Medicinal Chemistry 28:5, pages 115263.
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