Complementary ligands

This property index offers a powerful means to improve the generation of complementary ligands. Over time, builder-type programs evolve compounds with... 

S. Oloff, S. Zhang, N. Sukumar, C. Breneman and A. Tropsha, Chemo-metric analysis of ligand receptor complementarity identifying Complementary Ligands Based on Receptor Information (CoLiBRI)., J Chem. Inf Model, 2006, 46, 844-851. 

In a similar [4+2] reaction of a, -unsaturated esters, the aluminum catalyst complexed with the ligand S-VAPOL resulted in autoinduction , because of cooperative interaction of the product with the catalyst to generate a more selective catalytic species (Scheme 6.48) [68]. The ee% gradually increased as the reaction time lengthened. In the proposed intermediate, penta-coordinated aluminum complex 77, the cycloadduct is recognized as a complementary ligand, leading to substantial asymmetric induction. The acrylate is activated effectively within this hybridized complex which adopts pentacoordination [87]. 

Oloff S. Zhang, S., Sukumar, N., Breneman, C.M. and Tropsha, A. (2006) Chemometric analysis of ligand receptor complementarity identifying complementary ligands based on receptor information (CoLiBRl)./. Chem. Inf. Model.,... 

A key step in the approach presented here is that a number of conceptually different and complementary ligand-based and structure-based VS methods are combined to yield the final MDM4 in silico hit list. 

---