TI-MTD MODEL. APPLICATIONS IN MOLECULAR DESIGN

摘要

A bioactive molecule interacts with a biological receptor by means of an effector-receptor complex, in which the two partners mutually accommodate their structures such that the resulting complex exists sufficiently long for generating a biological response. The structural features of the bioactive molecule, responsible for a given biological activity (i.e. pharmacological profile), are called the pharmacophore. It plays an essential role in the recognition process preceding the complex formation. The receptor (i.e. a situs in a biomacromolecule) must contain complementary features to the pharmacophore for the recognition (complexation and ultimately biological response) to occur. In addition to the pharmacophore and its complementary points, the effector and biomacromolecule fix by areas of nonspecific interaction, which modulate the biological response.