Physicochemical Properties of Drug

Blake, J. F. Chemoinformatics -predicting the physicochemical properties of drug-like molecules. Curr. Opin. Biotechnol. 2000, 11, 104-107. 

Kibbey, C. E., Poole, S. K., Robinson, B., lackson,. D., Durham, D. An integrated process for measuring the physicochemical properties of drug candidates in a preclinical discovery environment. J. Pharm. Sci. 2001, 90, 1164-1175. 

JI Wells. Pharmaceutical Preformulation The Physicochemical Properties of Drug Substances. Chichester, England Ellis Horwood LTD, 1988, pp 209-210. 

J. I. Wells, Pharmaecutical Preformulation. The Physicochemical Properties of Drug Substances, Halsted Press, New York, 1988. 

Part II starts with the possibilities of ACE for characterizing the relevant physicochemical properties of drugs such as lipophilicity/hydrophilicity as well as thermodynamic parameters such as enthalpy of solubilization. This part also characterizes interactions between pharmaceutical excipients such as amphiphilic substances (below CMC) and cyclodextrins, which are of interest for influencing the bioavailability of drugs from pharmaceutical formulations. The same holds for interactions of drugs with pharmaceutical vehicle systems such as micelles, microemulsions, and liposomes. 

Although CE has been developed as a separation tool, it has quite useful characteristics for measuring the physicochemical properties of drugs with higher throughput and lower sample consumption in comparison with conventional methods. With the recent advances in combinatorial chemistry and in vitro pharmacological assay, rapid and reliable analytical methods for physicochemical parameter measurement are required to accelerate the drug... 

UV/visible spectrophotometry is a standard method for determining the physicochemical properties of drug molecules prior to formulation and for measuring their release from formulations. The type of properties which can be usefully determined by the UV method are listed as follows. 

The physicochemical characteristics of raw materials play an important role in content uniformity and bioavailability. Therefore, bioavailability of the drug over time must be thoroughly investigated before any significant changes are made. Once the physicochemical properties of drug substances (e.g., particle size of raw materials) can influence the availability and clinical effect of a product, the main characteristics of raw materials should be considered in a validation program. The... 

Figure 13.2 Relationships of basic physicochemical properties of drug molecules, as observed by Lipinski etal. [13]. The green arrows suggest limits for the respective properties that were proposed in the Lipinski rules. ...

Table 19.3 Primary Physicochemical Properties of Drugs Commonly Used in Animal Farming...

The kinetic order of a drug disposition is determined primarily by the relationship between the patient s physiology/anatomy and the physicochemical properties of drug. Disposition is made up of three major components (1) distribution, (2) metabolism, and (3) excretion. These... 

The real breakthrough came in 1964 when Hansch and Fujita [4] described the logarithm of the biological activity within a series of compounds as a linear combination of different physicochemical properties of drug molecules. The lipophilicity was quantified as the partition coefficient, log P, in the system octanol-water. The authors also defined the contribution to the lipophilicity n, of substituents X ... 

Polyelectrolyte complexes of retinoic acid have been well investigated, they are pharmaceutically active surfactants. In the following, we will therefore discuss the physicochemical properties of drug carriers formed by synthetic polyamino acids, polyethyleneimine, double hydrophilic block copolymers and retinoic acid. 

To this point, various physicochemical properties of drugs such as lipophilicity, ionization, and partition coefficient have been discussed. While these are certainly major factors, there is an additional factor that can influence drug distribution, namely chirality. Chirality is a relatively unique structural characteristic of certain molecules that can exist in two asymmetric, nonsuperimposable isomers (enantiomers) due to the presence of a chiral center (a carbon atom that is attached to four different functional groups (see Chapters 5 and 13). 

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