Molecular Docking of TGF-β Receptor

Molecular docking studies were carried out using Molecular Operating Environment (MOE 2014.0901) software, Chemical Computing Group, Montreal, Canada, following the docking protocol [36 (link)]. The X-ray crystal structure of the TGF-β (PDB ID: 1VJY) active site was downloaded from the RCSB Protein Date Bank website [37 (link)]. The validity of the used docking protocol was confirmed when the root-mean-square deviation (RMSD) score was less than 1.5 or 2 Å [38 (link)].

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Ghobrial D.K., El-Nikhely N., Sheta E., Ragab H.M., Rostom S.A., Saeed H, & Wahid A. (2023). The Role of Pyrazolo[3,4-d]pyrimidine-Based Kinase Inhibitors in The Attenuation of CCl4-Induced Liver Fibrosis in Rats. Antioxidants, 12(3), 637.

Publication 2023

MOE 2014.0901)

Protein Root Tgf β X ray

Corresponding Organization : Alexandria University

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Variable analysis

independent variables

Molecular docking studies using Molecular Operating Environment (MOE 2014.0901) software

dependent variables

Root-mean-square deviation (RMSD) score

control variables

X-ray crystal structure of the TGF-β (PDB ID: 1VJY) active site

controls

Positive control: The validity of the used docking protocol was confirmed when the RMSD score was less than 1.5 or 2 Å.
Negative control: Not explicitly mentioned.

Annotations

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