Tissue-Nonspecific Alkaline Phosphatase (TNAP) as the Enzyme Involved in the Degradation of Nucleotide Analogues in the Ligand Docking and Molecular Dynamics Approaches

Tissue-Nonspecific Alkaline Phosphatase (TNAP) as the Enzyme Involved in the Degradation of Nucleotide Analogues in the Ligand Docking and Molecular Dynamics Approaches

Tissue-nonspecific alkaline phosphatase (TNAP) is known to be involved in the degradation of extracellular ATP via the hydrolysis of pyrophosphate (PPi). We investigated, using three different computational methods, namely molecular docking, thermodynamic integration (TI) and conventional molecular...

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Bibliographic Details
Main Authors: Rafal Madaj, Bartlomiej Gostynski, Roza Pawlowska, Arkadiusz Chworos
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Biomolecules
Subjects:
TNAP
alkaline phosphatase
nucleotide analogues
bisphosphonate derivatives
molecular docking
molecular dynamics
Online Access:https://www.mdpi.com/2218-273X/11/8/1104

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