[Structural and functional bases of the intermolecular interaction of calix[4]arene C-97 with myosin subfragment-1 of myometrium].
Ukr Biokhim Zh (1999)
; 84(1): 34-44, 2012.
Article
en Uk
| MEDLINE
| ID: mdl-22679756
ABSTRACT
Calix[4]arene C-97 (code is shown) is the macrocyclic compound which has lipophilic intramolecular higly-structured cavity formed by four aromatic cycles, one of which on the upper rim is modified by methylene bisphosphonic group. It was shown that calix[4]arene C-97 (100 microM) efficiently inhibits ATPase activity of myosin subfragment-1 from pig myometrium, the inhibition coefficient I(0.5) being 83 +/- 7 microM. At the same time, this compound at 100 microM concentration significantly increases the effective hydrodynamic diameter of myosin subfragment-1, that may be indicative of intermolecular complexation between the calix[4]arene and myosin head. Computer simulation methods (docking, molecular dynamics, involving the Grid) have been used to clarify structural basis of the intermolecular interaction of calix[4]arene C-97 with myosin subfragment-1 of the myometrium; participation of hydrophobic, electrostatic and pi-pi (stacking) interactions between calix[4]arene C-97 and amino acid residues of myosin subfragment-1, some of them being located near the active site of the ATPase has been found out.
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Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Subfragmentos de Miosina
/
Adenosina Trifosfatasas
/
Calixarenos
/
Inhibidores Enzimáticos
/
Miometrio
Límite:
Animals
/
Female
/
Humans
Idioma:
Uk
Revista:
Ukr Biokhim Zh (1999)
Año:
2012
Tipo del documento:
Article