A method to detect common features necessary for biological activity: Application of ANALOGS for aldose reductase inhibitors

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Abstract

A computer system for rational molecular design is described. The system, named as ANALOGS, provides the triangular elements consisting of functional atoms for the comparison of a number of stereochemically different compounds. Application of the system for aldose reductase inhibitors is described. The results obtained give some interesting information on the inhibitor-binding site of aldose reductase and on the structural features of the inhibitors.

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