LUDI design

J1992. LUDI - Rule-Based Automatic Design of New Substituents for Enzyme Inhibitor Leads. mal of Computer-Aided Molecular Design 6 593-606. 

Bohm HJ. The computer program LUDI a new method for the de novo design of enzyme inhibitors. J Comput Aided Mol Design 1992 6 61-78. 

Boehm, H.J. LUDI mle-based automatic design of new substituents for enzyme inhibitor leads./. Comput.-Aided Mol. Des. 1992, 6, 593-606. 

Bohm HJ. On the use of LUDI to search the fine chemicals directory for ligands of proteins of known three-dimensional stmcture. J Comput-Aided Mol Design 1994 8 623-632. 

Figure 8-5. Examples of LAP inhibitors, LeuP analogues, designed using LUDI approach...

Another example of a very successful application of LUDI for designing new LAP inhibitors was discovery of phosphinate dipeptide analogues, representing a new class... 

Figure 8-6. a) LUDI Score as a function of experimentally measured activity of LAP inhibitors (R = 0.93). Numbers of particular points correspond to inhibitors designation introduced in the right panel b) structures of LAP inhibitors included in correlation... 

Table 8-1. Structures of LAP inhibitors, phosphinate dipeptide analogues, designed using LUDI. Experimental and predicted activities are presented for each compounds. a Value corresponding to the mixture of two diastereomers (1 1). Binding affinity for the mixture of four diastereomers. Value corresponding to the racemic mixture. Predicted binding affinity for one isomer which preferentially interacts with the protein...

H.-J. Boehm, J. Comput.-Aided Mol. Design, 6, 593 (1992). LUDI Rule-Based Automatic... 

Figure 5.27 Design of an SP route to a focused SP library of phenyl stilbenes selected with the program LUDI for the Kvl.3 potassium channel.

Figure 18 Yearly number of publications in the CJACS file mentioning DOCK, GRID, LUDI, or Catalyst. The search queries were (1) dock and kuntz, (2) grid and goodford, (3) ludi and design, and (4) biocad.

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