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

Madaj, Rafal; Gostynski, Bartlomiej; Pawlowska, Roza; Chworos, Arkadiusz

Madaj, Rafal; Gostynski, Bartlomiej; Pawlowska, Roza; Chworos, Arkadiusz.

Affiliation

Madaj R; Division of Bioorganic Chemistry Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza, 112, 90-363 Lodz, Poland.
Gostynski B; Division of Bioorganic Chemistry Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza, 112, 90-363 Lodz, Poland.
Pawlowska R; Division of Bioorganic Chemistry Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza, 112, 90-363 Lodz, Poland.
Chworos A; Division of Bioorganic Chemistry Centre of Molecular and Macromolecular Studies, Polish Academy of Sciences, Sienkiewicza, 112, 90-363 Lodz, Poland.

Biomolecules ; 11(8)2021 07 27.

Article in En | MEDLINE | ID: mdl-34439771

Subject(s)

Alkaline Phosphatase/chemistry; Computational Biology/methods; Diphosphates/chemistry; Adenosine Triphosphate/chemistry; Alendronate/chemistry; Diphosphonates/chemistry; Enzymes/chemistry; Humans; Hydrogen Bonding; Ligands; Molecular Conformation; Molecular Docking Simulation; Molecular Dynamics Simulation; Pamidronate/chemistry; Phosphates/chemistry; Protein Conformation; Thermodynamics; Zoledronic Acid/chemistry

Key words

TNAP; alkaline phosphatase; bisphosphonate derivatives; molecular docking; molecular dynamics; multiple sequence alignment; nucleotide analogues; thermodynamic integration

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Diphosphates / Computational Biology / Alkaline Phosphatase Limits: Humans Language: En Journal: Biomolecules Year: 2021 Type: Article Affiliation country: Poland

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