TY  - JOUR
AU  - Senćanski, Milan V.
AU  - Došen-Mićović, Ljiljana I.
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1181
AB  - In the present study, the role of inter-residue interactions in ligand binding and the ligand-receptor interactions were examined. Computational chemistry methods of ligand docking and molecular dynamics simulations were used to study the binding of beta-funaltrexamine (beta-FNA) and N-methyl-beta-funaltrexamine (N-methyl-beta-FNA) to mu- and kappa-opioid receptors and to the mu-receptor with Lys303(6.58) Glu mutation. It was found that inter-residue interactions Lys233(5.39)-Glu303(6.58) in the mutant receptor and Lys227(5.39) Asp223(5.35) in the.-receptor are more likely to prevent covalent bond formation between beta-FNA and the receptor than the ligand-receptor interactions. This emphasizes the importance of inter-residue interactions in ligand binding as well as the effects of point-mutations. (C) 2016 Institute of Chemistry, Slovak Academy of Sciences
T2  - Chemical Papers
T1  - Importance of inter-residue interactions in ligand-receptor binding
VL  - 70
IS  - 7
SP  - 994
EP  - 1002
DO  - 10.1515/chempap-2016-0017
ER  - 

@article{
author = "Senćanski, Milan V. and Došen-Mićović, Ljiljana I.",
year = "2016",
abstract = "In the present study, the role of inter-residue interactions in ligand binding and the ligand-receptor interactions were examined. Computational chemistry methods of ligand docking and molecular dynamics simulations were used to study the binding of beta-funaltrexamine (beta-FNA) and N-methyl-beta-funaltrexamine (N-methyl-beta-FNA) to mu- and kappa-opioid receptors and to the mu-receptor with Lys303(6.58) Glu mutation. It was found that inter-residue interactions Lys233(5.39)-Glu303(6.58) in the mutant receptor and Lys227(5.39) Asp223(5.35) in the.-receptor are more likely to prevent covalent bond formation between beta-FNA and the receptor than the ligand-receptor interactions. This emphasizes the importance of inter-residue interactions in ligand binding as well as the effects of point-mutations. (C) 2016 Institute of Chemistry, Slovak Academy of Sciences",
journal = "Chemical Papers",
title = "Importance of inter-residue interactions in ligand-receptor binding",
volume = "70",
number = "7",
pages = "994-1002",
doi = "10.1515/chempap-2016-0017"
}

Senćanski, M. V.,& Došen-Mićović, L. I.. (2016). Importance of inter-residue interactions in ligand-receptor binding. in Chemical Papers, 70(7), 994-1002.
https://doi.org/10.1515/chempap-2016-0017

Senćanski MV, Došen-Mićović LI. Importance of inter-residue interactions in ligand-receptor binding. in Chemical Papers. 2016;70(7):994-1002.
doi:10.1515/chempap-2016-0017 .

Senćanski, Milan V., Došen-Mićović, Ljiljana I., "Importance of inter-residue interactions in ligand-receptor binding" in Chemical Papers, 70, no. 7 (2016):994-1002,
https://doi.org/10.1515/chempap-2016-0017 . .