Biological activity, correlation

XIII. Biological Activity Correlation with Structure. 127... 

Before meaningful structure-biological activity correlations may be drawn in these series many more arylmorphan studies are needed. Alternative arrangements of the aryl group relative to nitrogen require exploration, as does the necessity for a 3 aryl oxygen function. 

Simon, Z., Holban, S., Motoc, I., Mracec, M., Chiriac, A., Kerek, F., Ciubotariu, D., Szabadai, Z., Pop, R. D. and Schwartz, I. (1976) Minimal steric difference in structure-biological activity correlations for a-chymotrypsin-catalyzed hydrolyses. Studia Biophys., 59, 181-197. 

Simon, Z. and Szabadai, Z. (1973a) Minimal steric difference parameter and the importance of steric fit for structure-biological activity correlations. Studia Biophys., 39, 239-252. 

When we looked at the surface potentials of other halogenated dibcnzo-/ -dioxins, we found that their biological activities correlate with the extent to which their surface potentials resemble that of TCDD. Thus high levels of receptor binding and toxicity are associated with negative regions above all or most of the lateral posi-... 

Z. Simon and Z, Szabadai, Angew. Chon., 86, 802 (1974). Minimal Sterie Difference Parameter and the Importance of Sterie Fit for Structure-Biological Activity Correlations. 

The required bifunctional intermediates 226 were prepared via selective functionalisation of N-1 and N-2 of the chiral synthon 216. The chiral bicyclic pyrazolidinone 221d is as active against E. coll as ceftazidime (MIC = 0.25 pg/ml). Compound 221e is even more active (MIC = 0.125 pg/ml). In this case, the biological activity correlates well with chemical reactivity [109] (Scheme 66). 

However, there remains the big challenge providing a physicochemical property/biological activity correlation to stractural (iimer) atomic or molecular states indices, by using the actual ortho-normalization framework in such way to be independent of the unitary transformation itself, i.e., for acquiring the desiderated universality of QSP(A)R method. Such exciting perspective is in the next section approached. 

The interaction involves the predicted norm of the respective chemical structure-biological activity correlation through the presence of the predicted initial (in time evolution of ligand-receptor kinetics) bound ligand to the receptor site, see Eq. (3.204), as well as the algebraic norm... 

Ob-6 AvatyCO 1) In the QSAR-context, it is necessary and sufficient that p verifies conditions C2), i.e., to be a dissimilarity index. In this sense MSD was used as a steric parameter (instead of the Taft Eg constant, for example) in Hansch type structure-biological activity correlations. 2) These results obtained for MSD are valid... 

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