Molecular modeling on kappa opioid receptor and its interaction with nonpeptide kappa opioid agonists

Acta Pharmacologica Sinica

Volumn 20, Issue 2, 1999, Pages 131-136

  Liu, Dong Xiang ^a   Jiang, Hua Liqng ^a   Shen, Jing Shan ^a   Zhu, Wei Liang ^a   Zhao, Lei ^a   Chen, Kai Xian ^a   Ji, Ru Yun ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

Analgesics; Bacteriorhodopsin; Cell surface receptors; Kappa opioid receptors; Ligands; Molecular models; Pharmaphore map; Structure activity relationship

Indexed keywords

3,4 DICHLORO N [1 ISOPROPYL 2 (1 PYRROLIDINYL)ETHYL] N METHYLBENZENEACETAMIDE; 3,4 DICHLORO N METHYL N [2 (1 PYRROLIDINYL)CYCLOHEXYL]BENZENEACETAMIDE; 4 [(3,4 DICHLOROPHENYL)ACETYL] 3 (1 PYRROLIDINYLMETHYL) 1 PIPERAZINECARBOXYLIC ACID METHYL ESTER; ASPARTIC ACID; CELL SURFACE RECEPTOR; CYSTEINE; GUANINE NUCLEOTIDE BINDING PROTEIN; ISOLEUCINE; KAPPA OPIATE RECEPTOR; KAPPA OPIATE RECEPTOR AGONIST; LEUCINE; MDL 158584; MDL 163725; MDL 167361; PHENYLALANINE; SERINE; TRYPTOPHAN; UNCLASSIFIED DRUG; VALINE;

ARTICLE; DRUG DESIGN; DRUG RECEPTOR BINDING; MOLECULAR MODEL; SITE DIRECTED MUTAGENESIS; STRUCTURE ACTIVITY RELATION;

3,4-DICHLORO-N-METHYL-N-(2-(1-PYRROLIDINYL)-CYCLOHEXYL)-BENZENEACETAMIDE, (TRANS)-ISOMER; ANALGESICS; BACTERIORHODOPSINS; DRUG DESIGN; DRUG INTERACTIONS; EYE PROTEINS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NARCOTICS; PYRROLIDINES; RECEPTORS, CELL SURFACE; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, OPIOID, KAPPA; SEQUENCE ALIGNMENT; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0033048473     PISSN: 02539756     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (9)

1. Wang JB, Johnson PS, Wu JM, Wang WF, Uhl GR. Human κ opiate receptor second extracellular loop elevates dynorphin's affinity for human μ/κ chimeras. J Biol Chem 1994; 269: 25966-9.
2. Metzger TG, Paterlini MG, Portoghese PS, Ferguson DM. Application of the message-address concept to the docking of naltrexone and selective natrexone-derived opioid antagonists into opioid receptor models. Neurochem Res 1996; 21: 1287-94.
3. Liu DX, Tang Y, Jiang HL, Chen KX, Ji RY. The Establishment of kappa opioid receptor agonists pharmacophore with molecular modelling method. Acta Pharmacol Sin 1998; 19: 445-50.
4. Tang Y, Chen KX, Jiang HL, Wang ZX, Ji RY, Chi ZQ. Molecular modeling of μ opioid receptor and its interaction with ohmefentanyl. Acta Pharmacol Sin 1996; 17: 156-60.
5. Alkorta I, Loew GH. A 3D model of the δ opioid receptor and ligand-receptor complexes. Protein Eng 1996; 9: 573-83.
6. Dohnelly D, Overington JP, Blundell TL. The prediction and orientation of α-helices from sequence alignments; the combined use of environment-dependent substitution tables, Fourier transform methods and helix capping rules. Protein Eng 1994; 7: 645-653.
7. Rost B. Predicting one-dimensional protein structure by profile based neural networks. Methods Enzymol 1996; 266: 525-39.
8. Cappelli A, Anzini M, Vomero S, Menziani MC, De Benedetti PG, Sbacchi M, et al. Synthesis, biological evaluation, and quantitative receptor docking simulation of 2-[(acylamino) ethyl]-1, 4-benzodiazepines as novel tifluadom-like ligands with high affinity and selectivity for κ-opioid receptors. J Med Chem 1996; 39: 860-72.
9. De Costa BR, Radesca L, Di Paolo L, Bowen WD. Synthesis, characterization and biological evaluation of a novel class of N-(arylethyl)-N-alkyl-2-(1-pyrrolidinyl) ethylamines; structural requirements and binding affinity as the σ receptor. J Med Chem 1992; 35: 38-47.