Based on DFT, MP2, and the density functional from Truhlar group (hybrid GGA: MPW1k)
calculations for an acid‐catalyzed hydrolysis of nine Kirby's N‐alkylmaleamic acids and two …

Based on stability studies on the drugs atenolol and propranolol and some of their
derivatives it is believed that increasing the lipophilicity of the drug will lead to an increase in …

The goal of this project was to design novel dopamine prodrugs for the treatment of
Parkinson's disease that can improve the overall biopharmaceutical profile of the current …

Based on density functional theory (DFT) calculations for the acid-catalyzed hydrolysis of
several maleamic acid amide derivatives four tranexamic acid prodrugs were designed. The …

A series of ester prodrugs of propranolol was synthesized by incorporating substituents
(straight alkyl, branched alkyl, acyloxyalkyl and cycloalkyl) into the β‐hydroxy function of …

Density functional theory calculation results demonstrated that the efficiency of the acid‐
catalyzed hydrolysis of Kirby's acid amides 1–15 is strongly dependent on the substitution …

DFT calculations for the acid-catalyzed hydrolysis of several maleamic acid amide
derivatives revealed that the reaction rate-limiting step is determined on the nature of the …

This review supplies the reader with a detailed overview on the utilization of intramolecular
processes for a design and synthesis of prodrugs. It is well known that a respected number …

DFT calculation results for intramolecular proton transfer reactions in Kirby's enzyme models
1–7 reveal that the reaction rate is quite responsive to geometric disposition, especially to …

Introduction: The revolution in computational chemistry greatly impacted the drug design
and delivery fields, in general, and recently the utilization of the prodrug approach in …