Journal ArticleDOI
Calcium-induced conformational changes of Thrombospondin-1 signature domain: implications for vascular disease.
TLDR
The simulated model of the fully calcium-loaded and calcium-depleted TSP1-Sig1 may enable the development of its interactions as a novel therapeutic target for the treatment of vascular diseases.Abstract:
Context: Thrombospondin1 (TSP1) participates in numerous signaling pathways critical for vascular physiology and disease. The conserved signature domain of thrombospondin 1 (TSP1-Sig1) comprises three epidermal growth factor (EGF), 13 calcium-binding type 3 thrombospondin (T3) repeats, and one lectin-like module arranged in a stalk-wire-globe topology. TSP1 is known to be present in both calcium-replete (Holo-) and calcium-depleted (Apo-) state, each with distinct downstream signaling effects.Objective: To prepare a homology model of TSP1-Sig1 and investigate the effect of calcium on its dynamic structure and interactions.Methods: A homology model of Holo-TSP1-Sig1 was prepared with TSP2 as template in Swissmodel workspace. The Apo-form of the model was obtained by omitting the bound calcium ions from the homology model. Molecular dynamics (MD) simulation studies (100 ns) were performed on the Holo- and Apo- forms of TSP1 using Gromacs4.6.5.Results and discussion: After simulation, Holo-TSP1-Sig1 ...read more
Citations
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Role of thrombospondin‑1 and thrombospondin‑2 in cardiovascular diseases (Review).
TL;DR: The current understanding of the roles TSP-1 and T SP-2 serve in various CVDs were summarized and the interacting ligands and the potential pathways associated with these thrombospondins inCVDs are discussed.
References
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A smooth particle mesh Ewald method
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