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Identification of New EGFR Inhibitors by Structure-Based Virtual Screening and Biological Evaluation

International journal of molecular sciences, 2024-02, Vol.25 (3), p.1887

2024

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Bisarylureas Based on 1H-Pyrazolo[3,4-d]pyrimidine Scaffold as Novel Pan-RAF Inhibitors with Potent Anti-Proliferative Activities: Structure-Based Design, Synthesis, Biological Evaluation and Molecular Modelling Studies

Molecules (Basel, Switzerland), 2017-03, Vol.22 (4), p.542

2017

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A Novel and Highly Selective Epidermal Growth Factor Receptor Inhibitor, SMUZ106, for the Treatment of Glioblastoma

Pharmaceutics, 2023-05, Vol.15 (5), p.1501

2023

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Design, synthesis and molecular docking studies of some novel spiro[indoline-3, 4′-piperidine]-2-ones as potential c-Met inhibitors

European journal of medicinal chemistry, 2012-04, Vol.50, p.370-375

2012

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Design and synthesis of proteolysis targeting chimeras (PROTACs) as an EGFR degrader based on CO-1686

European journal of medicinal chemistry, 2022-08, Vol.238, p.114455-114455, Article 114455

2022

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Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors

International journal of molecular sciences, 2011-08, Vol.12 (8), p.5080-5097

2011

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Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrazolo[3,4-d]pyrimidine derivatives as BRAFV600E and VEGFR-2 dual inhibitors

European journal of medicinal chemistry, 2018-07, Vol.155, p.210-228

2018

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Discovery and Computational Studies of Potent Covalent Kinase Inhibitors with α‑Substituent Electrophiles Targeting Cysteine

Journal of chemical information and modeling, 2023-01, Vol.63 (2), p.493-506

2023

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Design, synthesis and bioactivity evaluation of isobavachin derivatives as hURAT1 inhibitors for hyperuricemia agents

European journal of medicinal chemistry, 2024-11, Vol.277, p.116753, Article 116753

2024

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Molecular mechanism study of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Journal of biomolecular structure & dynamics, 2022-07, Vol.40 (13), p.5848-5857

2022

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Discovery of 4-methyl-3-(pyridin-2-ylamino)benzamide derivatives as C-Abl inhibitors with potential neuroprotective effect

Bioorganic & medicinal chemistry, 2022-11, Vol.74, p.117069, Article 117069

2022

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Design, synthesis, anti-tumor activity, and molecular modeling of quinazoline and pyrido[2,3-d]pyrimidine derivatives targeting epidermal growth factor receptor

European journal of medicinal chemistry, 2016-08, Vol.118, p.276-289

2016

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Intercultural Education and Best Practices for Chinese International High School Students in the United States

Li, Zhonghuang

2021

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The seafood Musculus senhousei shows anti-influenza A virus activity by targeting virion envelope lipids

Biochemical pharmacology, 2020-07, Vol.177, p.113982-113982, Article 113982

2020

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Insight into binding mechanisms of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Journal of biomolecular structure & dynamics, 2019-11, Vol.37 (16), p.4384-4394

2019

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Design, synthesis and biological evaluations of 2-amino-4-(1-piperidine) pyridine derivatives as novel anti crizotinib-resistant ALK/ROS1 dual inhibitors

European journal of medicinal chemistry, 2019-10, Vol.179, p.358-375

2019

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Discovery of novel Macrocyclic small molecules Based on 2-Amino-4-thiazolylpyridineas selective EGFR inhibitors with high Blood-Brain barrier penetration for the treatment of glioblastoma

Bioorganic chemistry, 2024-12, Vol.153, p.107905, Article 107905

2024

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Computational studies of potent covalent inhibitors on wild type or T790M/L858R mutant epidermal growth factor receptor

European journal of pharmaceutical sciences, 2020-09, Vol.152, p.105463, Article 105463

2020

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Molecular Dynamics Study to Investigate the Dimeric Structure of the Full-Length α‑Synuclein in Aqueous Solution

Journal of chemical information and modeling, 2017-09, Vol.57 (9), p.2281-2293

2017

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Design, synthesis, biological evaluation and molecular modeling of novel 2-amino-4-(1-phenylethoxy) pyridine derivatives as potential ROS1 inhibitors

European journal of medicinal chemistry, 2018-01, Vol.143, p.182-199

2018

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Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation

Bioorganic chemistry, 2021-12, Vol.117, p.105444-105444, Article 105444

2021

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The cytochrome P450 metabolic profiling of SMU-B in vitro, a novel small molecule tyrosine kinase inhibitor

Journal of pharmaceutical and biomedical analysis, 2020-09, Vol.188, p.113400-113400, Article 113400

2020

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Molecular dynamics simulation and free energy calculation studies of kinase inhibitors binding to active and inactive conformations of VEGFR-2

Journal of molecular graphics & modelling, 2015-03, Vol.56, p.103-112

2015

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Understand the acquired resistance of RTK inhibitors by computational receptor tyrosine kinases network

Computational biology and chemistry, 2018-10, Vol.76, p.275-282

2018

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Toxic Markers of Matrine Determined Using (1) H-NMR-Based Metabolomics in Cultured Cells In Vitro and Rats In Vivo

Evidence-based complementary and alternative medicine, 2015, Vol.2015, p.598412-598412

2015

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Identification of New EGFR Inhibitors by Structure-Based Virtual Screening and Biological Evaluation

Bisarylureas Based on 1H-Pyrazolo[3,4-d]pyrimidine Scaffold as Novel Pan-RAF Inhibitors with Potent Anti-Proliferative Activities: Structure-Based Design, Synthesis, Biological Evaluation and Molecular Modelling Studies

A Novel and Highly Selective Epidermal Growth Factor Receptor Inhibitor, SMUZ106, for the Treatment of Glioblastoma

Design, synthesis and molecular docking studies of some novel spiro[indoline-3, 4′-piperidine]-2-ones as potential c-Met inhibitors

Design and synthesis of proteolysis targeting chimeras (PROTACs) as an EGFR degrader based on CO-1686

Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors

Design, synthesis, biological evaluation and molecular modeling of novel 1H-pyrazolo[3,4-d]pyrimidine derivatives as BRAFV600E and VEGFR-2 dual inhibitors

Discovery and Computational Studies of Potent Covalent Kinase Inhibitors with α‑Substituent Electrophiles Targeting Cysteine

Design, synthesis and bioactivity evaluation of isobavachin derivatives as hURAT1 inhibitors for hyperuricemia agents

Molecular mechanism study of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Discovery of 4-methyl-3-(pyridin-2-ylamino)benzamide derivatives as C-Abl inhibitors with potential neuroprotective effect

Design, synthesis, anti-tumor activity, and molecular modeling of quinazoline and pyrido[2,3-d]pyrimidine derivatives targeting epidermal growth factor receptor

Intercultural Education and Best Practices for Chinese International High School Students in the United States

The seafood Musculus senhousei shows anti-influenza A virus activity by targeting virion envelope lipids

Insight into binding mechanisms of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations

Design, synthesis and biological evaluations of 2-amino-4-(1-piperidine) pyridine derivatives as novel anti crizotinib-resistant ALK/ROS1 dual inhibitors

Discovery of novel Macrocyclic small molecules Based on 2-Amino-4-thiazolylpyridineas selective EGFR inhibitors with high Blood-Brain barrier penetration for the treatment of glioblastoma

Computational studies of potent covalent inhibitors on wild type or T790M/L858R mutant epidermal growth factor receptor

Molecular Dynamics Study to Investigate the Dimeric Structure of the Full-Length α‑Synuclein in Aqueous Solution

Design, synthesis, biological evaluation and molecular modeling of novel 2-amino-4-(1-phenylethoxy) pyridine derivatives as potential ROS1 inhibitors

Novel natural scaffold as hURAT1 inhibitor identified by 3D-shape-based, docking-based virtual screening approach and biological evaluation

The cytochrome P450 metabolic profiling of SMU-B in vitro, a novel small molecule tyrosine kinase inhibitor

Molecular dynamics simulation and free energy calculation studies of kinase inhibitors binding to active and inactive conformations of VEGFR-2

Understand the acquired resistance of RTK inhibitors by computational receptor tyrosine kinases network

Toxic Markers of Matrine Determined Using (1) H-NMR-Based Metabolomics in Cultured Cells In Vitro and Rats In Vivo

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