Binding efficiency index

The idea of ligand efficiency was extended by considering other molecular descriptors. Abad-Zapatero and Metz [56] introduced a percentage efficiency index, a binding efficiency index and a surface-binding efficiency index by normalizing... 

It is important to point out that when examining small fragments and trying to prioritize them, scientists will often utilize simple metrics such as binding efficiency index (BEI)[3] and ligand efficiency (LE).141 The BEI is calculated using the equation... 

Binding efficiency index BEI pICso, pKi, or —AG/molecular weight... 

Given that for slope of the size versus affinity relationships are very consistent (AMW = 64 18 per log unit of affinity increase p-Kd)> the maximal affinity for a given optimized fragment could be predicted [74], Alternatively, the binding efficiency index [38] (BE = (pJfd/MW)) should remain constant throughout a fragment and lead optimization campaign. 

Binding efficiency index BE p/CjOrpKd or pICso MW (MW in Dalton) 27 [17]... 

The catalytic efficiency of an enzyme is indicated by its kcatIKM value, the value combining the effectiveness of both the productive substrate binding and the subsequent conversion of substrate molecules into product (Copeland, 2000). This value is the apparent second-order rate constant for enzyme action under conditions in which the binding site of the enzyme is largely unoccupied by substrate. The kcatIKM value is the index for comparing the relative rates of cleavage of alternative, competing substrates. The KM is the Michaelis constant, an apparent dissociation constant and hence a measure of substrate affinity. This value equals the concentration of substrate needed to reach half maximum velocity of the enzyme reaction. 

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