Pub. Date : 2019 Dec 15
PMID : 30391505
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics. | Paroxetine | solute carrier family 6 member 4 | Homo sapiens |
| 2 | In this study, by carrying out and analyzing the results of extensive and comparative molecular dynamics simulations while also re-evaluating the transport and binding properties of the thermostabilized constructs, we identified functionally important structural elements that are perturbed by these mutations, revealed unexpected dynamics in the central primary binding site of SERT, and uncovered a conceivable ambiguity in paroxetine"s binding orientation. | Paroxetine | solute carrier family 6 member 4 | Homo sapiens |
| 3 | We propose that the favored entropy contribution plays a significant role in paroxetine"s extraordinarily high affinity for SERT. | Paroxetine | solute carrier family 6 member 4 | Homo sapiens |