Transition state sturcture of 5'-methylthioadenosine/s-adenosylhomocysteine nucleosidases
AssigneeAlbert Einstein College of Medicine of Yeshiva University
InventorVern L. Schramm
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Abstract
Provided are methods of designing a putative inhibitor of a 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidase. The methods comprise designing a chemically stable compound that resembles the charge and geometry of the 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidase transition state. Also provided are methods of inhibiting 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidases using the inhibitors found by the above methods.
Claims24
A method of designing a putative inhibitor of a 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidase having 5′-methylthioadenosine and S-adenosylhomocysteine substrates, the method comprising designing a chemically stable compound that resembles (a) the molecular electrostatic potential at the van der Walls surface computed from the wave function of the transition state and (b) the geometric atomic volume of the 5′-methylthioadenosine/S-adenosylhomocysteine nucleosidase transition state, wherein the compound is the putative inhibitor.
Dependencies are inferred from the claim text.