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A possible involvement of solvent-induced interactions in drug design.


J Med Chem. 1996 Mar 29;39(7):1531-9. Unique Identifier : AIDSLINE

We propose to study a new factor in designing new drugs. Most approaches to the drug design problem focus on the direct interactions between the drug and the corresponding target. We propose to study specific solvent-induced effects that can contribute to the binding Gibbs energy between the drug and its target. We estimate that these indirect effects will contribute significantly to the binding affinity and hopefully improve the clinical efficiency of the drugs.

Amino Acid Chloromethyl Ketones/CHEMISTRY/METABOLISM Antithrombins/CHEMISTRY/METABOLISM Base Sequence Binding Sites *Drug Design DNA/CHEMISTRY/METABOLISM Enzyme Inhibitors/CHEMISTRY/METABOLISM Hydrogen Bonding HIV Protease/CHEMISTRY/METABOLISM HIV Protease Inhibitors/CHEMISTRY/METABOLISM Indenes/CHEMISTRY Molecular Sequence Data Netropsin/CHEMISTRY/METABOLISM Oligodeoxyribonucleotides/CHEMISTRY/METABOLISM Phospholipases A/ANTAGONISTS & INHIB/CHEMISTRY Protein Binding Protein Folding Solvents/*CHEMISTRY Thermodynamics Thrombin/CHEMISTRY JOURNAL ARTICLE


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