3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors

3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Dynamics Simulations for the Identification of Spleen Tyrosine Kinase Inhibitors

Spleen tyrosine kinase (SYK) is an essential mediator of immune cell signaling and has been anticipated as a therapeutic target for autoimmune diseases, notably rheumatoid arthritis, allergic rhinitis, asthma, and cancers. Significant attempts have been undertaken in recent years to develop SYK inhi...

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Bibliographic Details
Main Authors: Vikas Kumar, Shraddha Parate, Danishuddin, Amir Zeb, Pooja Singh, Gihwan Lee, Tae Sung Jung, Keun Woo Lee, Min Woo Ha
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-06-01
Series:Frontiers in Cellular and Infection Microbiology
Subjects:
SYK inhibitor
3D QSAR
pharmacophore
autoimmune diseases
molecular docking
MD simulation
Online Access:https://www.frontiersin.org/articles/10.3389/fcimb.2022.909111/full

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https://www.frontiersin.org/articles/10.3389/fcimb.2022.909111/full

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