Computational Modeling of Selective Pharmacophores at the α1-Adrenergic Receptors

This chapter contains sections titled: • Introduction • Ligand-Based and Receptor-Based Pharmacophore Modeling and QSAR Analysis • The General Α1-AR Pharmacophore • Ligand-Based Pharmacophore and Virtual Screening • Prazosin Analogues (2,4-Diamino-6,7-dimethoxyquinazoline Derivatives) • 1,4-Benzodioxan (WB-4101) Related Compounds • Arylpiperazine Derivatives • Target and Antitarget Pharmacophore Modeling • Modeling the Α1-AR Subtype Selectivities of Different Classes of Antagonists • Supermolecule-Based Subtype Pharmacophore and QSAR Models • Ligand-Based Subtype Pharmacophores • Receptor-Based Subtype Pharmacophore and Ligand-Target/Antitarget Interaction-Based QSAR • Antitarget Modeling of Biogenic Amine-Binding GPCRs: Common Features and Subtle Differences • Conclusions • From Molecules to Pharmacophores to Descriptors to Models • Perspectives • Pharmacophore Combination Approach: From Lock and Key to Passe-Partout Model • References.