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IOTransfer enables you to transfer photos across iPhone, iPad and PC without sync limits. Despite the increase in the number of marketed prodrugs, we have only started to appreciate the potential of the prodrug approach in modern drug development, and the coming years will witness many novel prodrug innovations.Transfer and Retains Your Photos Anywhere Advances must be made in understanding the chemistry of many organic reactions that can be effectively utilized to enable the development of even more types of prodrugs. The future of prodrug technology is exciting yet extremely challenging. The tool used in the design is a computational approach consisting of calculations using molecular orbital and molecular mechanics methods (DFT, ab initio and MM2) and correlations between experimental and calculated values of intramolecular processes that were used to understand the mechanism by which enzymes might exert their high rates catalysis. The novel prodrug approach to be reported in this review implies prodrug design based on enzyme model (mimicking enzyme catalysis) that has been utilized to understand how enzymes work.
The use of computational approaches, such as density functional theory (DFT), semiempirical and ab initio molecular orbital methods, in modern prodrugs design will be discussed. This article provides the readers with a concise overview of this modern approach to prodrug design. The use of ab initio, semiempirical and molecular mechanics methods to understand organic reaction mechanisms of certain processes, especially intramolecular reactions, has opened the door to design and to rapidly produce safe and efficacious delivery of a wide range of active small molecule and biotherapeutics such as prodrugs. The revolution in computational chemistry greatly impacted the drug design and delivery fields, in general, and recently the utilization of the prodrug approach in particular. Hence, the rate by which acyclovir prodrug releases acyclovir can be determined according to the structural features of the linker (Kirby& amp #39 s acid amide moiety). For example, based on the calculated log effective molarities values, the predicted t(1/2) (a time needed for 50% of the reactant to be hydrolyzed to products) for acyclovir prodrugs, ProD 1-4, was 29.2 h, 6097 days, 4.6 min, and 8.34 h, respectively. Based on a linear correlation between the calculated and experimental effective molarities, the study on the systems reported herein could provide a good basis for designing prodrug systems that are less hydrophilic than their parental drugs and can be used, in different dosage forms, to release the parent drug in a controlled manner. Further, the results established that while in the gas phase the hydrolysis rate-limiting step is the tetrahedral intermediate formation in polar solvents such as water, the rate-limiting step could be either the formation or the collapse of the tetrahedral intermediate depending on the substitution on the C-C double bond and on the amide nitrogen substituent. Density functional theory calculation results demonstrated that the efficiency of the acid-catalyzed hydrolysis of Kirby& amp #39 s acid amides 1-15 is strongly dependent on the substitution on the C-C double bond and the nature of the amide N-alkyl group.
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