Analogue approach

Wolfenden, R., 1972. Analogue approaches to die structure of the transition state in enzyme reactions. Accounts of Chemical Research 5 10-18. 

Marshall GR, Barry CD, Bosshard HE, Dammkoehler RA, Dunn DA. The conformational parameter in drug design the active analogue approach. In Olson EC, Christoffersen RE, editors, Computer-assisted drug design. Washington, DC American Chemical Society, 1979. p.205-26. 

Sedykh, A. Y., Klopman, G. A structural analogue approach to the prediction of the... 

Binuclear Iron, Manganese and Copper Centers in Biology—Synthetic Analogue Approach (Mukherjee, 1997)... 

Throughout the years, a very large number of antihistamines have been identified, and many of these have been introduced into therapy. In some ways, the analogue approach has been used by intuition with subsequent QSAR studies following, and this has led to general conclusions. In most - if not all - antihistamines, those elements seen in the skeleton of diphenhydramine are present. 

In the read-across or analogue approach, endpoint information for one chemical is used to make a prediction of the endpoint for another chemical, which is considered to be similar in some way. In principle, read-across can be used to assess physicochemical properties, environmental fate, and (eco)toxicity effects, and it may be performed in a qualitative or quantitative manner. A one-to-one read-across is an ad hoc comparison based on the similarity between two chemicals. Read-across carried out between three or more chemicals can lead to the formulation of generalizations about the group, and eventually to establish that a common substructure can be associated with a SAR. Although the distinction between SAR and read-across may appear vague, the term SAR usually refers to an approach that has been subjected to some degree of statistical validation, and thus to a more formalized approach than read-across. 

In qualitative read-across the potential of a chemical to exhibit a property is inferred from the established potential of one or more analogues. The analogue approach could simply be regarded as the use of SAR. The process involves (1) the identification of a chemical substructure that is common to two substances (which are considered to be analogues) and (2) the assumption that the presence (or absence) of a property/activity for a substance can be inferred from the presence (or absence) of the same property/activity for the analogous substance. 

Aerobic oxidation of Co(II)-BLM affords a number of strongly colored Co(III) products (115, 116). The origin of the different colors is still under investigation however, the synthetic analogue approach has led to several different [Co(PMA)X]" complexes (X = OH2, Cl , N-methylimidazole) that mimic these color changes (112). Irradiation of Co-BLM leads to strand breaks in DNA (117), as does Co(PMA) (0H2)2+ (Fig. 8) (110, 112). 

Active analogue approach In the absence of information regarding the receptor a medicinal chemist may modify known active structures from which one or several pharmacophoric patterns can be deduced. Then a set of possible (low energy) conformations for each compound known to activate the receptor is calculated. For each allowed conformation, the pharmacophoric pattern is determined. The intersection of all generated pharmacophoric patterns may then yield the pharmacophore embedded in all compounds of the set of active analogues. 

With subsite-differentiated clusters in hand, we turn to their applications in examining subsite-specific properties of native [4Fe-4S] clusters by the synthetic analogue approach. The potentially most important applications at this stage of development of subsite-specific cluster chemistry are listed below. 

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