Publications by authors named "Wang RunLing"

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Exploring the mechanism of C473D mutation on CDC25B causing weak binding affinity with CDK2/CyclinA by molecular dynamics study.
Li-Peng Li, Hao-Xin Li, Hui Zhou, Wei-Ya Li, Run-Ling Wang

J Biomol Struct Dyn· November 2023

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Exploring the cause of the dual allosteric targeted inhibition attaching to allosteric sites enhancing SHP2 inhibition.
Ma Yangchun, Yang WenYu, Zhou Liang, Li LiPeng, Wu JingWei, Wang RunLing

Mol Divers· June 2022

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Structure-based discovery of a specific SHP2 inhibitor with enhanced blood-brain barrier penetration from PubChem database.
Ying Ma, Wei-Ya Li, Ting Sun, Ling Zhang, Xin-Hua Lu

Bioorg Chem· April 2022

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Molecular dynamics study of CDC25B mutant causing the activity decrease of CDC25B.
Hao-Xin Li, Wen-Yu Yang, Li-Peng Li, Hui Zhou, Wei-Ya Li

J Mol Graph Model· December 2021

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Design, synthesis, biological evaluation and molecular dynamics simulation studies of imidazolidine-2,4-dione derivatives as novel PTP1B inhibitors.
Yangchun Ma, Ting-Ting Ding, Ya-Ya Liu, Zhi-Hui Zheng, Su-Xia Sun

Biochem Biophys Res Commun· November 2021

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Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2.
Shan Du, Xin-Hua Lu, Wei-Ya Li, Li-Peng Li, Yang-Chun Ma

Mol Divers· August 2021

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Allosteric Inhibitors of SHP2: An Updated Patent Review (2015-2020).
Jingwei Wu, Huan Zhang, Guilong Zhao, Runling Wang

Curr Med Chem· June 2021

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Design, synthesis, biological evaluation and molecular dynamics of LAR inhibitors.
Ying-Zhan Sun, Jing-Wei Wu, Shan Du, Yang-Chun Ma, Liang Zhou

Comput Biol Chem· June 2021

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Synthesis, evaluation, molecular dynamics simulation and targets identification of novel pyrazole-containing imide derivatives.
Wenxi Cai, Jingwei Wu, Yingzhan Sun, Ailin Liu, Runling Wang

J Biomol Struct Dyn· April 2021

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Design, synthesis, biological evaluation, common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.
Jingwei Wu, Weiya Li, Zhihui Zheng, Xinhua Lu, Huan Zhang, Runling Wang

J Biomol Struct Dyn· March 2021

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Exploring the mechanism of the potent allosteric inhibitor compound2 on SHP2 and SHP2 by molecular dynamics study.
Liang Zhou, Yong Feng, Yang-Chun Ma, Zhao Zhang, Jing-Wei Wu

J Mol Graph Model· March 2021

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Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis.
Liang Zhou, Yang-Chun Ma, Xue Tang, Wei-Ya Li, Ying Ma

J Biomol Struct Dyn· January 2021

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Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation.
Wei-Ya Li, Ying Ma, Hao-Xin Li, Xin-Hua Lu, Shan Du

Bioorg Chem· December 2020

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Design potential selective inhibitors for human leukocyte common antigen-related (PTP-LAR) with fragment replace approach.
Jing-Wei Wu, Huan Zhang, Wei-Ya Li, Xue Tang, Hong-Lian Li

J Biomol Struct Dyn· November 2020

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Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation.
Shan Du, Bing Yang, Xin Wang, Wei-Ya Li, Xin-Hua Lu

J Biomol Struct Dyn· September 2020

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Identification of novel inhibitor of protein tyrosine phosphatases delta: structure-based pharmacophore modeling, virtual screening, flexible docking, molecular dynamics simulation, and post-molecular dynamics analysis.
Yang-Chun Ma, Bing Yang, Xin Wang, Liang Zhou, Wei-Ya Li

J Biomol Struct Dyn· September 2020

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Design, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Wen-Shan Liu, Rui-Rui Wang, Hai Yue, Zhi-Hui Zheng, Xin-Hua Lu

J Biomol Struct Dyn· August 2020

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Design, synthesis, biological evaluation and molecular dynamics simulation studies of (R)-5-methylthiazolidin-4-One derivatives as megakaryocyte protein tyrosine phosphatase 2 (PTP-MEG2) inhibitors for the treatment of type 2 diabetes.
Jingwei Wu, Yingzhan Sun, Hui Zhou, Ying Ma, Runling Wang

J Biomol Struct Dyn· July 2020

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Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors.
Wen-Shan Liu, Bing Yang, Rui-Rui Wang, Wei-Ya Li, Yang-Chun Ma

Bioorg Chem· July 2020

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Investigating the reason for loss-of-function of Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) caused by Y279C mutation through molecular dynamics simulation.
Wen-Shan Liu, Rui-Rui Wang, Wei-Ya Li, Mei Rong, Chi-Lu Liu

J Biomol Struct Dyn· June 2020

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Identification of protein tyrosine phosphatase 1B (PTP1B) inhibitors through De Novo Evoluton, synthesis, biological evaluation and molecular dynamics simulation.
Jingwei Wu, Yangchun Ma, Hui Zhou, Liang Zhou, Shan Du, Runling Wang

Biochem Biophys Res Commun· May 2020

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Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics.
Rui-Rui Wang, Wen-Shan Liu, Liang Zhou, Ying Ma, Run-Ling Wang

J Biomol Struct Dyn· March 2020

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Exploring the effect of aplidin on low molecular weight protein tyrosine phosphatase by molecular docking and molecular dynamic simulation study.
Ying-Zhan Sun, Jing-Wei Wu, Xin-Hua Lu, Ying Ma, Run-Ling Wang

Comput Biol Chem· December 2019

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Exploring the effect of inhibitor AKB-9778 on VE-PTP by molecular docking and molecular dynamics simulation.
Wen-Shan Liu, Rui-Rui Wang, Ying-Zhan Sun, Wei-Ya Li, Hong-Lian Li

J Cell Biochem· October 2019

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Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation.
Wen-Shan Liu, Wen-Yan Jin, Liang Zhou, Xing-Hua Lu, Wei-Ya Li

J Comput Aided Mol Des· August 2019

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