Organic compounds structural complexity, factors

Bcl-2 is one of the many factors that control apoptosis, and overexpression of Bcl-2 has been observed in many different cancers. A homology model of Bcl-2 was derived from the NMR 3D structure of the Bcl-XL complex with a Bak BH3 peptide. This model served to search the NCI 3D database of 206,876 organic compounds for potential Bcl-2 inhibitors, which bind to the Bak BH3 binding site of Bcl-2. Full conformational flexibility of the ligands was taken into account in the program DOCK. Thirty-five potential inhibitors were tested, and seven of them had IC50 values from 1.6 to W.OpM. One of... 

KoC is an important parameter which describes the potential for movement or mobility of pesticides in soil, sediment and groundwater. Because of the structural complexity of these agrochemical molecules, the above simple relationship which considers only the chemical s hydrophobicity may fail for polar and ionic compounds. The effects of pH, soil properties, mineral surfaces and other factors influencing sorption become important. Other quantities, KD (sorption partition coefficient to the whole soil on a dry weight basis) and KqM (organic matter-water partition coefficient) are also commonly used to describe the extent of sorption. K0M is often estimated as 0.56 KoC, implying that organic matter is 56% carbon. 

The structural complexity of organic compounds arises from carbon s small size, intermediate EN, four valence electrons, ability to form multiple bonds, and absence of d orbitals in the valence level. These factors lead to chains, branches, and rings of C atoms joined by strong, chemically resistant bonds that point in as many as four directions from each C. The chemical diversity of organic compounds arises from carbon s ability to bond to many other elements, including O and N, which creates polar bonds and greater reactivity. These factors lead to compounds that contain functional groups, specific portions of molecules that react in characteristic ways. 

Evidently, enzyme catalysis is thus most attractive for the synthesis and modification of biologically relevant classes of organic compounds that are typically complex, multifunctional, and vater soluble. Typical examples are those structurally related to amino acids [16, 17] or carbohydrates [18-24], vhich are difficult to prepare and handle by conventional methods of chemical synthesis. Because of the multitude of factors that might be critical to the success of an enzymatic conversion, and because of the empirical nature of their development, it is mandatory in the design of new biocatalytic processes to become familiar vith the scope and limitations of synthetically useful enzymes, both as a source of inspiration and for reference. Thus, this overview attempts to outline the current status of development for the most important aldolase biocatalysts and their preparative potential for asymmet-... 

In order to investigate the structure-property relationships of the compounds with relatively complex molecules, it is not enough to use atomic parameters only, since the structure of molecules is also a key factor affecting the physico-chemical properties of a compound. This is particularly important for the description of the structure-property relationships of organic compounds. 

Growth-inhibitions by compounds structurally related to biotin have been observed. These are different in kind from the action of the antibiotin factor, where an inactive protein complex is formed. These structurally related anti-metabolites include biotin sulfone and desthiobiotin, their activities being related to the nutritional requirements of the organ-... 

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