Wyniki wyszukiwania

Wyszukiwano:
w słowach kluczowych: covalent inhibitor

Sortuj według:

Ogranicz wyniki do:

Theoretical studies of binding modes of two covalent inhibitors of cysteine proteases

100%

Drabik P., Politowska E., Czaplewski C., Kasprzykowski F., Lankiewicz L., Ciarkowski J.

Acta Biochimica Polonica

2000

tom 47

nr 4

Physiological and pathological roles of cysteine proteases make them important targets for inhibitor development. Although highly potent inhibitors of this group of enzymes are known, their major drawback is a lack of sufficient specificity. Two cysteine protease covalent inhibitors, viz. (i) Z-RL-deoxo-V-peptide-epoxysuccinyl hybrid, and (ii) Z-RLVG-methyl-, have been developed and modeled in the catalytic pocket of papain, an archetypal thiol protease. A number of configurations have been generated and relaxed for each system using the AMBER force field. The catalytic pockets S3 and S4 appear rather elusive in view of the observed inhibitors' flexibility. This suggest rather limited chances for the development of selective structure-based inhibitors of thiol proteases, designed to exploit differences in the structure of catalytic pockets of various members of this family.

Ograniczanie wyników

1 Acta Biochimica Polonica

1 Ciarkowski J.

1 Czaplewski C.

1 Drabik P.

1 Kasprzykowski F.

1 Lankiewicz L.

1 Politowska E.

1 2000

Wyniki wyszukiwania

Theoretical studies of binding modes of two covalent inhibitors of cysteine proteases