Parametrization of 2-thiouracil and 4-thiouracil in CHARMM all-atom empirical force field

Thiouracil in Thyrotoxicosis

Enzymatic synthesis of thiouracil riboside and thiouracil desoxyriboside.

In a survey of various substrates for pyrimidine nucleoside synthesis, it was noted that inorganic orthophosphate was released when 2-thiouracil and desoxyribose-l-phosphate were incubated together with thymidine phosphorylase (1). This finding, taken as a fairly certain indication of nucleoside synthesis, has now been fully substantiated by isolation and characterization of crystalline thioura...

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

The widely used CHARMM additive all-atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates. In the present article, an extension of the CHARMM force field to drug-like molecules is presented. The resulting CHARMM General Force Field (CGenFF) covers a wide range of chemical groups present in biomolecules and drug-like molecules, including a large number of he...

Copper (I) complexes of 2-thiouracil

Copper complexes obtained from the reactions between 2-thiouracil and cupric hydroxide in different solvents have been investigated. Mononuclear or polynuclear complexes of Cu(I) have been obtained depending on the reaction conditions. Hydroxo complexes of copper(I) have been obtained at pH around 3.5. 2-Thiouracil acts as monoor bidentate ligand in complexes. [Cu(H2TU)2 OH], [Cu5(H2TU)6 (OH)5]...

Biosynthesis of a Thiouracil Pheomelanin in Embryonic Pigment Cells Exposed to Thiouracil*

[Z-W]Thiouracil and [%]thiouracil are incorporated into the melanin of chick retinal pigment epithelium incubated in vitro. This synthesis of a thiouracil pheomelanin (thiolcuntaining melanin) can be used to measure the rate of melanin synthesis in living cells. Thiouracil incorporation is dependent on tyrosinase activity: incorporation is inhibited by phenylthiourea, a tyrosinase inhibitor, an...