4-thiopyridine and isopentane

4-thiopyridine has been researched along with isopentane* in 1 studies

Other Studies

1 other study(ies) available for 4-thiopyridine and isopentane

Article	Year
Ab initio studies of some amino acid residue complexes with 4-mercaptopyridine as a model for thymitaq (AG337), an inhibitor of thymidylate synthase. Cancer investigation, 1999, Volume: 17, Issue:6 The complex formed by isopentane, as a model for the isoleucine residue present in the wild-type thymidylate synthase, with 4-mercaptopyridine as a fragment of the thymidylate synthase inhibitor Thymitaq (AG337) is investigated with ab initio quantum chemical calculations at Hartree-Fock and MP2 levels, using the 3-21G* basis set. The binding energy is compared with the binding energies of 4-mercaptopyridine with amino acid residues found in mutant thymidylate synthase enzymes. As compared with isoleucine, alanine and glycine do not show binding, in agreement with enzyme-inhibition results. Topics: Acetamides; Amino Acids; Benzene; Binding Sites; Electrons; Hydrogen; Ions; Methane; Models, Chemical; Pentanes; Pyridines; Quinazolines; Thermodynamics; Thymidylate Synthase	1999

Article

Year

Ab initio studies of some amino acid residue complexes with 4-mercaptopyridine as a model for thymitaq (AG337), an inhibitor of thymidylate synthase.

Cancer investigation, 1999, Volume: 17, Issue:6

The complex formed by isopentane, as a model for the isoleucine residue present in the wild-type thymidylate synthase, with 4-mercaptopyridine as a fragment of the thymidylate synthase inhibitor Thymitaq (AG337) is investigated with ab initio quantum chemical calculations at Hartree-Fock and MP2 levels, using the 3-21G* basis set. The binding energy is compared with the binding energies of 4-mercaptopyridine with amino acid residues found in mutant thymidylate synthase enzymes. As compared with isoleucine, alanine and glycine do not show binding, in agreement with enzyme-inhibition results.

Topics: Acetamides; Amino Acids; Benzene; Binding Sites; Electrons; Hydrogen; Ions; Methane; Models, Chemical; Pentanes; Pyridines; Quinazolines; Thermodynamics; Thymidylate Synthase

1999