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Ivanov A. A., Baskin I. I., Palulin V. A., Zefirov N. S.
Molecular Modeling of Adenosine Receptors
Abstract
In this paper,
the known results of computer-aided modeling of the adenosine receptors and
docking of their ligands are summarized. It is demonstrated that A1, A2a and A3
subtypes of the adenosine receptors are most studied, whereas the structure and
binding modes of ligands of the A2b receptor are still almost unexplored.
Various ways of the molecular models creation and main regularities and
differences of the ligands binding are investigated.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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