Structural-functional activity relationship

Routine compositional/attachment site determination -Structure/functional activity relationships -CHO sequence by MS NMR RESIDUAL DNA DETERMINATION... 

FIGURE 24.9 Synthetic brevetoxin derivatives used to probe structure-function activity relationships with the voltage-gated sodium channel. Synthesis of the structures are described in References 8, 32, and 120. 

J.A. Bohn, J.N. BeMiller, (l->3)-P-D-glucans as biological response modifiers A review of structure-functional activity relationships, Carbohydr. Pol, 28,3-14,1995. 

Bohn J.A., BeMiUer J.N. (1—>3)-P-D-Glucans as biological response modifiers a review of structure-functional activity relationships. Carbohydrate Polymers, 28, 3-14 (1995). 

In many cases the most important aspect of structural studies is that knowledge of the structure of a protein leads to improved understanding of its function. For instance, if a protein has to be administered for lifetime or longterm replacement therapy (e.g., insulin, growth hormone, factor IX), it is important to know all about its structure-function-stability relationships. A longer turnover time or a higher specific activity, for example, allows for a smaller dose to be administered, which has medicinal and financial benefits. 

Nanoscience demands efficient synthetic methods for materials with controlled particle properties by timing the preparative chemistry and has led to several methods adopted for hierarchical inorganic materials for potential applications. Aided by the soft chemical approach, highly stabilized crystalline and monodispersed nanomaterials may be synthesized on bench scale and may subsequently be scaled up for higher production level with an important facet of the molecules-to-materials approach. By tuning the desired functional properties of precise size and shape, this may offer exciting possibilities to fabricate new nanodevices with reproducible results based on structural-performance-activity relationships with high reliability. 

There is a long history to extract polymeric materials from renewable resources. Now focus has been given to the study of structure-function-biodegradability relationships, preparation of composites of natural with synthetic materials for improved properties and various applications, and development of processing technologies, such as foaming technology. Study and application of other abundant non-starch part of plants, natural fibers (jute, kenaf), oil, fats and proteins are active too. 

Rogers D and A J Hopfinger 1994. Application of Genetic Function Approximation to Quantitatir Structure-Activity Relationships and Quantitative Structure-Property Relationships. Journal Chemical Information and Computer Science 34 854-866. 

Structure— Function Relationships. Since PCBs and related HAHs are found in the environment as complex mixtures of isomers and congeners, any meaninghil risk and hazard assessment of these mixtures must consider the quaUtative and quantitative stmcture—function relationships. Several studies have investigated the stmcture—activity relationships for PCBs that exhibit 2,3,7,8-tetrachlorodibenzo-p-dioxin [1746-01-6] (1)... 

D Rogers, AJ Hopflnger. Application of genetic function approximation to quantitative strac-ture-activity relationships and quantitative structure-property relationships. J Chem Inf Comput Sci 34(4) 854-866, 1994. 

In general the relevance of predictions of structure-function relationships based on molecular modeling and structural bioinformatics are threefold. First they can be used to answer the question of which partners (proteins) could interact. Second, predictions generate new hypotheses about binding site, about molecular mechanisms of activation and interaction between two partners, and can lead to new ideas for pharmacological intervention. The third aim is to use the predictions for structure-based drug design. 

Structure activity relationships, i.e., the total pattern of change in a biological activity as a function of chemical structure, typically derived from a comparison within a chemical series so that the biological effects of substitution at each structural position may be determined and correlated. 

Kerbiriou D, Griffin J Human high molecular 27 weight kininogen. Studies of structure-function relationships and of proteolysis of the molecule occurring during contact activation of plasma. J Biol Chem 1979 245 12020-12027. 

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