Inhibitors | Comment | Organism | Structure |
---|---|---|---|
5-fluorouracil | 5-FU, is an anticancer drug, which inhibits human thymidine phosphorylase (hTP) and plays a key role in maintaining the process of DNA replication and repair. It is involved in regulating pyrimidine nucleotide production, by which it inhibits the mechanism of cell proliferation and cancerous tumor growth. In the cell, 80% of 5-FU is metabolized by dihydropyrimidine dehydrogenase (DPD) | Homo sapiens | |
additional information | comparison of binding structures of 5-FU and its derivatives to human thymidine phosphorylase and dihydropyrimidine dehydrogenase (DPD), analysis of strategies to reduce drug binding to DPD to decrease the required dose of 5-FU. hTP can still undergo open-closed conformations in the absence of the ligand, but the presence of a positively charged ligand better stabilizes the closed conformation and rigidifies the core region of the protein more than unliganded or neutral liganded system. Molecular dynamics simulations, overview. One of the three hinge segments linking the two major alpha and alpha/beta domains of the hTP is an important contributing factor to the enzyme's open-close conformational twist during its inactivation-activation process. In addition, the angle between the alpha/beta-domain and the alpha-domain has shown to undergo wide rotations over the course of MD simulation in the absence of a phosphate, suggesting that it contributes to the stabilization of the closed conformation of the hTP | Homo sapiens |
Organism | UniProt | Comment | Textmining |
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Homo sapiens | P19971 | - |
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Synonyms | Comment | Organism |
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HTP | - |
Homo sapiens |