1999年6月4日 · Mutation of Asp147 to Ala or Asn substantially reduced the affinity of naltrexone and the affinity, potency and efficacy of morphine, while the Glu mutant had similar properties as the wildtype, indicating the significant role of the carboxylate group …

We tested the hypotheses that the carboxylate side chain of Asp147 of the mu opioid receptor interacts with the protonated nitrogen of naltrexone and morphine and that this interaction is important for pharmacological properties of the two compounds. Mutation of Asp147 to Ala or Asn substantially re …

Molecular modeling (Tang et al., 1996) of fentanyl derivatives binding to the mu receptor suggests that Asp147, Tyr148, Trp318, and His319 are important residues for binding. According to this model, Asp147 interacts with the positively charged opiate agonist to form potent electrostatic and hydrogen-bonding interactions.

2019年5月3日 · Another difference is tighter arrangement of the interaction between Asp147 3.32 and Tyr326 7.43 (a link between helices TM3 and TM7) in the presence of fentanyl. Principal component analysis reveals differences in the trajectories dependent on the ligand bound.

2016年2月18日 · With the resolved crystal structure of the β-funaltrexamine-MOR complex, we aimed at the discovery of novel agonists and antagonists using virtual screening tools, i.e. docking, pharmacophore- and...

2013年6月12日 · With the orvinols, the increased size of the C19 substituent in buprenorphine over diprenorphine leads to increased interactions with residues adjacent to Asp147, partially overcoming the presence of the cyclopropyl N substituent, such that buprenorphine is …

2013年7月3日 · To further investigate molecular details of Asp147 associated with receptor activation, analysis was undertaken of the conformations of the Asp147 side chain based on sampling of the χ1 dihedral (Figure 4A). This analysis shows that Asp147 samples the trans state almost exclusively in the

The protonated N atom of ohmefentanyl form potent electrostatic and hydrogen-bonding interactions with residue Asp147 of the receptor, the O atom of the carbonyl group form weak electrostatic and hydrogen-bonding interactions with residue His319, and the two phenyl groups form pi-pi interactions with some aryl residues of the receptor around ...

1999年6月4日 · Semantic Scholar extracted view of "ASP147 in the third transmembrane helix of the rat mu opioid receptor forms ion-pairing with morphine and naltrexone." by Jian-Guo Li et al.

2021年2月1日 · Through virtual screening, 4 MOR biased agonistic candidate molecules were finally obtained. The four candidate molecules have different chemical backbones and bind to the key amino acid ASP147. Uses SeeSAR to predict the affinity of these four compounds has reached the nm level.