High-affinity benzodiazepine receptor ligands among benzodiazepines and betacarbolines with different intrinsic activity

Conference · Sun Jan 01 00:00:00 EST 1989 · International Journal of Quantum Chemistry; (USA)

OSTI ID:6415753

Yliniemelae, A; Gynther, J ^[1]; Konschin, H; Tylli, H ^[2]; Rouvinen, J ^[3]

---

1. Univ. of Kuopio (Finland)
2. Univ. of Helsinki (Finland)
3. Univ. of Joensuu (Finland)

Structural and electrostatic features of diazepam, flumazenil, and methyl betacarboline-3-carboxylate (BCCM) have been investigated using the molecular superimposition method. These high-affinity benzodiazepine (BZ) receptor ligands are structurally unrelated and they have different intrinsic activity. These ligands are superimposed in such a way that common structural and electrostatic features essential for the high receptor binding affinity overlap. In addition to this binding pharmacophore, there are roughly three separate binding zones in the BZ receptor, one for each class of ligands. The intrinsic activity of BZ receptor ligands depends on the molecular structures and the way the ligand approaches the receptor.

• OSTI ID: 6415753
• Report Number(s): CONF-8904365-; CODEN: IJQCB
• Journal Information: International Journal of Quantum Chemistry; (USA), Vol. 16; Conference: International symposium on quantum biology and quantum pharmacology, St. Augustine, FL (USA), 1-8 Apr 1989; ISSN 0020-7608
• Country of Publication: United States
• Language: English

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
RECEPTORS
STRUCTURE-ACTIVITY RELATIONSHIPS
TRANQUILIZERS
AFFINITY
CHEMICAL COMPOSITION
LIGANDS
MOLECULAR STRUCTURE
CENTRAL NERVOUS SYSTEM AGENTS
DRUGS
MEMBRANE PROTEINS
ORGANIC COMPOUNDS
PROTEINS
PSYCHOTROPIC DRUGS
550200* - Biochemistry