Ligand lipophilicity

Effects of CTAB Micelle Concentration and Ligand Lipophilicity 158... 

Another features of the ligand lipophilicity and the- stability of the complex on the rates are shown in Fig. 6 Rate saturation corresponds to the formation of a 1 1 or 2 1 ligand-metal ion complex. Non-micellar reactions of curves b and c indicate that the N-butyl ligand 38b forms a more active complex than N-methyl ligand 38a does. It may be interesting to note that in the micellar reaction of 38b, a flat... 

A recently reported tool for hit evaluation and prioritization is ligand lipophilicity efficiency (LLE).21 LLE is calculated as the difference between the negative logarithm of a hit s binding affinity, such as —log /C50 or —log KD, and the logarithm of a hit s partition coefficient, such as log P or clog P (Equation 10.2). 

Edwards, M. P., Price, D. A. Role of Physiochemical Properties and Ligand Lipophilicity Efficiency in Addressing Drug Safety Risks. Annu. Rep. Med. Chem. 2010, 45, 381-391. 

Mortenson PN, Murray CW (2009) Ligand lipophilicity efficiency - assessing lipophilicity of fragments and early hits. Presented at RSC Fragments 2009, Astra Zeneca Alderley Park, UK, 4—5 March 2009, Poster 9... 

Currently, there are three drugs of interest in clinical trials and diey illustrate nicely die differing mechanistic tqiproaches. Their development represents examples of steric control of reactivity, control of oxidation state and ligand lipophilicity aimed at producing orally active agents and manipulation of new structures to produce structurally new DNA adducts (Figure 1). 

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