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Description

Methylcobalamin has a significant affinity to bind to the active site of the nsp12 protein of SARS-CoV-2, with a docking score of 8.193, Glide gscore of 8.263, and Glide energy of 75.794 (Schrdinger, New York, NY)

Cobalamin is then exported out of the cell by the transporter ABCC1

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Predicting PeptideReceptor (Breast Cancer Biomarker) Interactions Receptorpeptide complexes were modeled by the PatchDock online docking server ( which makes use of a geometry-based molecular docking algorithm as a scoring function.27 After docking analysis, complexes were additionally refined by using the FireDock online server.28 Molecular Docking Analysis Docking of doxorubicin with tumor biomarkers (receptors) was simulated using Autodock Version 4.2.23,29 Autodock searches for the best conformation of receptor and doxorubicin were on the basis of its binding energy