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[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.
Asunto(s)
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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
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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