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Information Journal Paper

Title

Structural Insight into the Role of Inhibitory Peptide Derived from Tumstatin-Integrin Complex in Inhibitory Mechanism: A Molecular Dynamics Simulations Study

Pages

  137-144

Abstract

Integrin inhibitors may change the conformational and dynamical properties of Integrin, but its molecular properties in this process are not clearly understood. Tumstatin is an Anti-Angiogenesis protein derived from collagen XVIII, but little is known about how Tumstatin applies its antiangiogenic and antitumor effects. It has been reported that 18 amino acids fragment of Tumstatin has antiangiogenesis and anti-tumor activities similar to Tumstatin. In this study, Molecular Docking and molecular dynamics simulations were used to describe the inhibitory activity of peptide at the molecular level. Peptide can bind to the Hybrid/EGF-4 interface which these interactions might contribute to improved hydrophobic interactions at these regions and also bound mobile domains to fixed domain of Integrin. In the complex, we recognized a novel binding site on Integrin for Integrin inhibitors that may have a critical role in Integrin inhibition. These results support the idea that hydrophobic interactions between the Hybrid/EGF-4 domain and peptide-anti tumor might contribute to the stability of bended state and therefore inhibit Integrin activation. The findings can be applied to understand the mechanism of out-in pathway Integrin signaling and the development of Integrin targeted drugs.

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    APA: Copy

    GHORBANI, M., & TAGHDIR, M.. (2020). Structural Insight into the Role of Inhibitory Peptide Derived from Tumstatin-Integrin Complex in Inhibitory Mechanism: A Molecular Dynamics Simulations Study. JOURNAL OF BIOTECHNOLOGY, 11(1 ), 137-144. SID. https://sid.ir/paper/231188/en

    Vancouver: Copy

    GHORBANI M., TAGHDIR M.. Structural Insight into the Role of Inhibitory Peptide Derived from Tumstatin-Integrin Complex in Inhibitory Mechanism: A Molecular Dynamics Simulations Study. JOURNAL OF BIOTECHNOLOGY[Internet]. 2020;11(1 ):137-144. Available from: https://sid.ir/paper/231188/en

    IEEE: Copy

    M. GHORBANI, and M. TAGHDIR, “Structural Insight into the Role of Inhibitory Peptide Derived from Tumstatin-Integrin Complex in Inhibitory Mechanism: A Molecular Dynamics Simulations Study,” JOURNAL OF BIOTECHNOLOGY, vol. 11, no. 1 , pp. 137–144, 2020, [Online]. Available: https://sid.ir/paper/231188/en

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