Design of analogs

Clark-Lewis, I., Dewald, B., Loetscher, M., Moser, B., and Baggiolini, M. (1994) Structural requirements for IL-8 function identified by design of analogs and CXC chemokine hybrids. J. Biol. Chem. 269,16,075-16,081. 

For the second step of the cocaine methyl ester hydrolysis involving the water-assisted proton transfer, the calculated energy barrier, 4.8 kcal/mol, associated with transition state TS2dW-Me, is also lower than the corresponding first step. So, with the direct participation of the solvent water molecule in the proton transfer process, the first step of the hydrolysis in aqueous solution should be rate-determining, whether for the cocaine benzoyl ester hydrolysis or for the cocaine methyl ester hydrolysis. This conclusion provides theoretical support for the design of analogs of the first transition state for the cocaine benzoyl ester hydrolysis to elicit anti-cocaine catalytic antibodies [22,25]. 

An advantage of NMR over other structural techniques such as X-ray crystallography is that it has the potential to provide information not only on structure but also on the electronic properties of molecules. Many drug leads contain ionizable groups and a determination of their charge state in solution and/or at the bound site is important in the design of analogs. Simple plots of chemical shifts as a... 

The biorational design of analogous compounds must take into account the asymmetry of 2-hydroxy dodecanoic acid since C-2 is an asymmetric carbon with possible R and S enantiomers. That the stereochemistry appears to be... 

Replacement of an amino acid by proline introduces conformational constraint by elimination of rotation about the carbon-nitrogen bond in the 5-membered ring. Proline in positions 5 and 13 is acceptable in the receptor bound conformation while in position 10 it is not.° ° Using this information, a conformation capable of receptor interaction has been proposed (O which is different from conformations proposed based on physical studies in solution. This model led to the design of analogs of the compound having Asn-5 and Thr-12 and Phe-6 and Phe-11 replaced by cystine (2 3,... 

P.R. Gray, P.J. Hurst, S.H. Lewis, R.G. Meyer, Analysis and Design of Analog Inte-... 

B. Razavi, Design of Analog CMOS Integrated Circuits, McGraw-Hill, Boston, 2001. 

In Chapters 16 and 18 we discussed the design of analog feedback controllers in the time and Laplace domains. Does the introduction of a digital controller change these design methodologies ... 

The occurrence of an isostructural series of inclusion compounds is informative, indicating the structural integrity of a particular type of host array but also reflecting a degree of flexibility to accommodate small to moderate structural modifications in the guest. This information can be carried over to the design of analogous host systems. 

The ideal template for the selection of the best catalyst is the transition state, which is by definition unstable and therefore not useful. Therefore, a TSA should be designed that, on the one hand, is sufficiently precise to mimic the transition state but, on the other hand, is sufficiently stable to be used for the selection procedure. Recent progress in molecular modehng and the ever-increasing computer power facilitates the identification of the transition state and for the design of analogs thereof. 

Franca, J.E. and Tsividis, Y, eds. 1994. Design of Analog-Digital VLSI Circuits for Telecommunications and Signal Processing, 2nd ed. Prentice-HaU, Englewood Cliffs, NJ. 

Schaumann, R., Ghausi, M.S., and Laker, K.R. 1990. Design of Analog Filters. Prentice-Hall, Englewood Cliffs, Nl. 

Gray, P.R. and Meyer, R.G. 1993. Analysis and Design of Analog Integrated Circuits, 3rd ed. Wiley, New York. 

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