Solvophobic forces and molecular surface area changes in drug-biomolecule associations as with actinomycin-deoxyguanosine in a wide range of methanol/water mixtures.
A method is given to predict the unitary free energies of complexation between drug-like and nucleoside-like biomolecules in a range of mixed solvent compositions. A stability maximum for the actinomycin (A)-deoxyguanosine (D) complex at 8% MeOH (v/v) in methanol/water mixtures is correctly predicted by the theory in agreement with existing experimental data. The molecular surface areas of A and D exposed to the solvent are found to diminish by 36.4 A(2) upon association. The 'microthermodynamic differential surface tension' of the solvophobic theory obtained for nucleoside-like and organic molecules in contact with MeOH/H2O can be used to predict the solvent effect free energies in other such molecular or biopolymeric associations in solution.
Sinanoglu
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Departments of Chemistry and of Molecular Biochemistry/Biophysics, Yale University, New Haven, CT 06520, USA.
Fernández
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A