Structure-based drug design
β Scribed by L Mario Amzel
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 338 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0958-1669
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Thymidylate synthase (TS) is a very interesting target in antiproliferative diseases. Its inhibition causes thimineless death of the cells and compounds inhibiting TS are widely used in anticancer therapy. The classical antifolate TS inhibitors are structural analogs of the folate cofactor; they oft
## Abstract The computer program LUDI for automated structureβbased drug design is described. The program constructs possible new ligands for a given protein of known threeβdimensional structure. This novel approach is based upon rules about energetically favourable nonβbonded contact geometries be