Drug structure chemical

Diphenylhydantoin (23), diazepam (24), phenacemide (25), and ethylphenacemide (26) are all potent anticonvulsants 41 . The first two drugs, though chemically unrelated, have similarities in their three-dimensional structures 42). The other two open-chain acetylurea derivatives 25 and 26 in the crystalline state bear striking stereochemical... 

While there is a vast range of different drug structures, there are only a relatively small number of chemical reactions, some of which are shown below in Table 5.13 (p. 199), involved in the production of metabolites. Based on the structure of the drug, it is therefore possible to predict the most likely metabolites. Use may then be made of reconstructed ion chromatograms (RlCs) of mlz values corresponding to the predicted molecular weights of these metabolites to locate them within the LC-MS data obtained. 

Testa, B. Drugs as chemical messages molecular structure, biological context, and structure-activity relationships. Med. Chem. Res. 1997, 7, 340-365. 

As noted above, considerable research is ongoing to define the overall ideal structural and physicochemical characteristics of drug-like chemical matter. These evolving characteristics should be taken seriously in the context of compound collection design. 

Special mention must be accorded to iatrogenic effects, where the usefulness of novel synthetic drugs is impaired by untoward side effects of obscure etiology. In some, if not many of them, these side effects may find their explanation in the inhibitory action of the drug upon a vitamin, as in the case of primidone vs. folic acid (B3a). These relationships appear to be fortuitous until the structural chemical kinship of drug and vitamin is recognized. 

Drug Pharmacological Chemical structure Mammalian metabolism Microbial metabolism Ref. 

Table 16.5 General structure of a sulfa drug, structure of five sulfa drugs containing six-mem-bered heterocyclic R substituents, and measured pK values pK values were calculated using a spectrophotometric titration. Errors represent the 95% confidence levels and both the values and the associated errors were obtained from fits of the data using Scientist for Windows. Reprinted with permission from Boreen AL, Arnold WA, McNeil K (2005) Triplet-sensitized photodegradation of sulfa drugs containing six-membered heterocyclic groups identification of an S02 extrusion photoproduct. Environ Sci Technol 39 3630-3638. Copyright 2005 American Chemical Society...

Henry, C. 2001. Structure-based drug design. Chemical and Engineering News (June 4) 69-78. 

Squalene is also an intermediate in the synthesis of cholesterol. Structurally, chemically, and biogenetically, many of the triterpenes have much in common with steroids (203). It has been verified experimentally that trans-squalene is the precursor in the biosynthesis of all triterpenes through a series of cyclization and rearrangement reactions (203,204). Squalene is not used much in cosmetics and perfumery formulations because of its light, heat, and oxidative instability however, its hydrogenated derivative, squalane, has a wide use as a fixative, a skin lubricant, and a carrier of lipid-soluble drugs. 

No matter which system might eventually prove to be the best, the use of a chemical assignment of drug structure to the active components allows some form of clinical challenge to the native use in the field. DMT and 5-MeO-DMT are the mainstay chemicals in most snuffs,... 

ANALOG Different forms of a chemical or drug structurally related to the parent chemical or drug. 

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