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Discovery and design of dual inhibitors targeting Sphk1 and Sirt1

Journal of molecular modeling, 2023-05, Vol.29 (5), p.141-141, Article 141

2023

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Homology modeling, virtual screening and MD simulations for the identification of NUAK1 and ULK1 potential dual inhibitors

New journal of chemistry, 2022-02, Vol.46 (9), p.413-4113

2022

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Rational design and synthesis of triazene-amonafide derivatives as novel potential antitumor agents causing oxidative damage towards DNA through intercalation mode

Bioorganic chemistry, 2024-03, Vol.144, p.107141-107141, Article 107141

2024

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Design, Synthesis and Structure-Activity Relationship Studies of Meridianin Derivatives as Novel JAK/STAT3 Signaling Inhibitors

International journal of molecular sciences, 2022-02, Vol.23 (4), p.2199

2022

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Study on the interactions of pyrimidine derivatives with FAK by 3D-QSAR, molecular docking and molecular dynamics simulation

New journal of chemistry, 2020-12, Vol.44 (45), p.19499-1957

2020

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Identification of novel Src, Bcl-2 dual inhibitors by the pharmacophore model, molecular docking, and molecular dynamics simulations

New journal of chemistry, 2021-08, Vol.45 (31), p.1463-1469

2021

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Design and screening of SGK1, Src dual inhibitors using pharmacophore models, molecular docking, and molecular dynamics simulation

New journal of chemistry, 2020-11, Vol.44 (41), p.17815-1782

2020

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Deciphering the Underlying Mechanisms of Formula Le-Cao-Shi Against Liver Injuries by Integrating Network Pharmacology, Metabonomics, and Experimental Validation

Frontiers in pharmacology, 2022-04, Vol.13, p.884480-884480

2022

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Discovery of DNA Topoisomerase I Inhibitors with Low-Cytotoxicity Based on Virtual Screening from Natural Products

Marine drugs, 2017-07, Vol.15 (7), p.217

2017

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De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approach

Journal of molecular modeling, 2016-09, Vol.22 (9), p.222-8, Article 222

2016

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Exploration of Novel MTH1 Inhibitors Using Fragment-Based De Novo Design, Virtual Screening, and Reverse Virtual Screening Methods

Russian journal of bioorganic chemistry, 2019-07, Vol.45 (4), p.253-262

2019

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Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening

Future medicinal chemistry, 2022-03, Vol.14 (6), p.393-405

2022

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Label-free electrochemical detection of genetic damage induced by the interaction of a novel potential aminoanthraquinone-derived antitumor agent with DNA modified electrode

Sensors and actuators. B, Chemical, 2022-02, Vol.352, p.131036, Article 131036

2022

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Electrochemical detection of the oxidative damage of a potential pyrimido[5,4-g]pteridine-derived antitumor agent toward DNA

Analytical and bioanalytical chemistry, 2023-05, Vol.415 (12), p.2249-2260

2023

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Electrochemical detection of genetic damage caused by the interaction of novel bifunctional anthraquinone-temozolomide antitumor hybrids with DNA modified electrode

Journal of pharmaceutical and biomedical analysis, 2023-07, Vol.231, p.115410-115410, Article 115410

2023

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In silico Identification of Novel SphK1 Inhibitors

Letters in drug design & discovery, 2024-08, Vol.21 (10), p.1886-1893

2024

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Electrochemical detection of DNA damage caused by novel potential 2-nitroimidazole naphthalimide-based hypoxia tumor-targeting agent with mimimum side effects

Microchemical journal, 2022-07, Vol.178, p.107435, Article 107435

2022

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Development of efficient docking strategies and structure-activity relationship study of the c-Met type II inhibitors

Journal of molecular graphics & modelling, 2017-08, Vol.75, p.241-249

2017

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The unbinding studies of vascular endothelial growth factor receptor-2 protein tyrosine kinase type II inhibitors

Journal of molecular graphics & modelling, 2015-06, Vol.59, p.130-135

2015

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De novo design of dual-target JAK2, SMO inhibitors based on deep reinforcement learning, molecular docking and molecular dynamics simulations

Biochemical and biophysical research communications, 2023-01, Vol.638, p.23-27

2023

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Double-network polyphenol chitosan hydrogels with instant aldehyde-β-cyclodextrin-based structure as potential for treating bacterially infected wounds

International journal of biological macromolecules, 2024-10, Vol.278 (Pt 3), p.134819, Article 134819

2024

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Centipede Venom Peptides Acting on Ion Channels

Toxins, 2020-04, Vol.12 (4), p.230

2020

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Exploration of Novel MTH1 Inhibitors Using Fragment-Based de novo Design, Virtual Screening, and Reverse Virtual Screening Methods

Биоорганическая химия, 2019, Vol.45 (4), p.391-391

2019

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Electrochemical Detection of Genetic Damage Caused by the Interaction of Novel Bifunctional Anthraquinone-Temozolomide Antitumor Hybrids with DNA Modified Electrode

SSRN Electronic Journal, 2023

2023

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Electrochemical Detection of DNA Damage Caused by Novel Potential 2-Nitroimidazole Naphthalimide-Based Hypoxia Tumor-Targeting Agent with Mimimum Side Effects

SSRN Electronic Journal

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Discovery and design of dual inhibitors targeting Sphk1 and Sirt1

Homology modeling, virtual screening and MD simulations for the identification of NUAK1 and ULK1 potential dual inhibitors

Rational design and synthesis of triazene-amonafide derivatives as novel potential antitumor agents causing oxidative damage towards DNA through intercalation mode

Design, Synthesis and Structure-Activity Relationship Studies of Meridianin Derivatives as Novel JAK/STAT3 Signaling Inhibitors

Study on the interactions of pyrimidine derivatives with FAK by 3D-QSAR, molecular docking and molecular dynamics simulation

Identification of novel Src, Bcl-2 dual inhibitors by the pharmacophore model, molecular docking, and molecular dynamics simulations

Design and screening of SGK1, Src dual inhibitors using pharmacophore models, molecular docking, and molecular dynamics simulation

Deciphering the Underlying Mechanisms of Formula Le-Cao-Shi Against Liver Injuries by Integrating Network Pharmacology, Metabonomics, and Experimental Validation

Discovery of DNA Topoisomerase I Inhibitors with Low-Cytotoxicity Based on Virtual Screening from Natural Products

De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approach

Exploration of Novel MTH1 Inhibitors Using Fragment-Based De Novo Design, Virtual Screening, and Reverse Virtual Screening Methods

Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening

Label-free electrochemical detection of genetic damage induced by the interaction of a novel potential aminoanthraquinone-derived antitumor agent with DNA modified electrode

Electrochemical detection of the oxidative damage of a potential pyrimido[5,4-g]pteridine-derived antitumor agent toward DNA

Electrochemical detection of genetic damage caused by the interaction of novel bifunctional anthraquinone-temozolomide antitumor hybrids with DNA modified electrode

In silico Identification of Novel SphK1 Inhibitors

Electrochemical detection of DNA damage caused by novel potential 2-nitroimidazole naphthalimide-based hypoxia tumor-targeting agent with mimimum side effects

Development of efficient docking strategies and structure-activity relationship study of the c-Met type II inhibitors

The unbinding studies of vascular endothelial growth factor receptor-2 protein tyrosine kinase type II inhibitors

De novo design of dual-target JAK2, SMO inhibitors based on deep reinforcement learning, molecular docking and molecular dynamics simulations

Double-network polyphenol chitosan hydrogels with instant aldehyde-β-cyclodextrin-based structure as potential for treating bacterially infected wounds

Centipede Venom Peptides Acting on Ion Channels

Exploration of Novel MTH1 Inhibitors Using Fragment-Based de novo Design, Virtual Screening, and Reverse Virtual Screening Methods

Electrochemical Detection of Genetic Damage Caused by the Interaction of Novel Bifunctional Anthraquinone-Temozolomide Antitumor Hybrids with DNA Modified Electrode

Electrochemical Detection of DNA Damage Caused by Novel Potential 2-Nitroimidazole Naphthalimide-Based Hypoxia Tumor-Targeting Agent with Mimimum Side Effects

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