| Autor: |
Lewis, Paul J., De Jonge, Marc, Daeyaert, Frits, Kuymans, Luc, Vinkers, Maarten, Heeres, Jan, Janssen, Paul A.J., Arnold, Eddy, Das, Kalyan, Clark Jr., Art D., Hughes, Stephen H., Boyer, Paul L., De Béthune, Marie-Pierre, Pauwels, Rudi, Andries, Koen, Kukla, Mike, Ludovici, Donald, Decorte, Bart, Kavash, Robert, Chih Ho |
| Předmět: |
|
| Zdroj: |
Journal of Computer-Aided Molecular Design; Feb2003, Vol. 17 Issue 2-4, p129-134, 6p |
| Abstrakt: |
There are several indications that a given compound or a set of related compounds can bind in different modes to a specific binding site of a protein. This is especially evident from X-ray crystallographic structures of ligand-protein complexes. The availability of multiple binding modes of a ligand in a binding site may present an advantage in drug design when simultaneously optimizing several criteria. In the case of the design of anti-HIV compounds we observed that the more active compounds that are also resilient against mutation of the non-nucleoside binding site of HIV i-reverse transcriptase make use of more binding modes than the less active and resilient compounds. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
Full text from SpringerLink