Interaction hot spot

Aldose reductase Hierarchical filters were used to impose the requirement for a carboxylate group isostere and the compatibility with a 3-D pharmacophore model of interaction hot spots. Novel, low micromolar inhibitors of aldose reductase were found. 153 ... 

Li X et al (2004) Protein-protein interactions hot spots and structurally conserved residues often locate in complemented pockets that pre-organized in the unbound states implications for docking. J Mol Biol 344(3) 781-795... 

Figure 5.4 Interaction hot spots (colored gold) for a C=0 group probe within the binding site of tyrosine kinase, with the experimentally determined position of an oxindole inhibitor...

The interaction of a 125 kbar shock wave in TATB with a single spherical hole of 4 X 10 cm diameter is shown in Figure 3.26. It fails to build toward a detonation. The interaction of a 125 kbar shock wave in TATB with a matrix of spherical holes of 4 X 10 cm diameter with a void fraction of 10% is shown in Figure 3.27. The flow builds toward a detonation. The experimental run to detonation for a 125 kbar shock wave in 1.71 g/cc TATB is 0.3 cm. The computed detonation occurs too quickly because of insufficient numerical resolution when the shock wave is enhanced to high enough pressures and temperatures by the interacting hot spots. 

Darnell SJ, Page D, Mitchell JC (2007) An automated decision-tree approach to predicting protein interaction hot spots. Proteins 68(4) 813-823. doi 10.1002/Prot.21474... 

Transition to detonation in charmels without obstacles was recently successfully simulated numerically [11,12]. In these simulations, it was shown that shock compression of the unreacted mixture forms the hot spots resulting from shock-shock, shock-wall, and shock-vortex interactions. The hot spots contain temperature gradients that produce spontaneous reaction waves and detonations. 

The use of metals or metallic compounds in microwave-assisted reactions can also lead to damage to the reaction vessels. As metals interact intensively with microwaves, the formation of extreme hot spots may occur, which might weaken the vessel surface due to the onset of melting processes. This will destroy the stability of the vessels and may cause explosive demolition of the reaction containers. If catalysts are used which can produce elemental metal precipitates (for example, of palladium or copper), stirring is recommended to avoid the deposition of thin metal layers on the inner surfaces of the reaction vessels. 

Viscosity has not been found to be a meaningful. The hot spot effect in poorly mixed viscous reactors can be included in the heat of reaction parameter. New phase generation and catalysts have not been chosen either because both parameters are considered by hazardous properties of those substances (chemical interaction, explosiveness etc.). This applies also to waste products parameter. 

There are at least two factors that could influence the turnover rate, the site of metabolism (hot spot) and the affinity of a compound toward these enzymes the protein/ligand (substrate or inhibitor) interaction and the chemical reactivity of the compound towards oxidation. Because of the interaction of the protein with the potential ligand, certain atoms of the compound could be exposed to the heme group, and depending on the chemical nature of these moieties the oxidative reaction will take place at different rates, for example celecoxib is metabolized by CYP2C9 at the... 

Steighner RJ, Povirk LF (1990) Bleomycin-induced DNA lesions at mutational hot spots imphcations for the mechanism of double-strand cleavage. Proc Natl Acad Sci USA 87(21) 8350-8354 Straney DC, Crothers DM (1987) Effect of drug-DNA interactions upon transcription initiation at the lac promoter. Biochemistry 26(7) 1987-1995... 

About 80% of magmatic activity in the ocean occurs at the MOR, with another 10% each at subduction zones and mantle hot spots. Hydrothermal interactions take place at convergent plate boundaries where oceanic crust is being subducted back into the... 

Once binding hot spots are identified by DXMS analysis, combinatorial libraries can be generated, based in part on structural information available that may suggest the nature of the peptidic features of the interacting proteins that... 

Although, a small molecule cannot accommodate the large protein interface, yet the disruption of such interfaces by small drug-like molecules is possible (13, 59, 60). Particular features of the protein interface should be considered to make this possible (61). As seen above, the presence of hot spots, i.e., the presence of micro-cavities in which ligand atoms can interact very strongly is one of the most important criteria (62-67). 

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