Priego E M, Mendieta J, Gago F, Balzarini J, De Clercq E, Camarasa M J, Pérez-Pérez M J
Instituto de Química Médica (C.S.I.C.), Madrid, Spain.
Nucleosides Nucleotides Nucleic Acids. 2003 May-Aug;22(5-8):951-3. doi: 10.1081/NCN-120022693.
Computational studies have been conducted to built a closed form of TPase and to characterize the transition state of the phosphorylisis reaction catalyzed by TPase. The results obtained point to a crucial role of His-85 and the O2 of thymine in the catalysis. This modelled transition state forms the basis for the design of new TPase inhibitors.
