Careful Examination of a Novel Azobenzene Paroxetine Derivative and Its Interactions With Biogenic Amine Transporters.

2004 )) were in agreement with the biological data: the 19 top ranked poses were occupied exclusively by ( Z )‐azo‐paroxetine ( 9 ) poses, and the calculated mean glide and emodel scores over all poses showed a clear trend toward more favorable docking scores for ( Z )‐azo‐paroxetine ( 9 ) (( Z )‐azo‐paroxetine ( 9 ) mean glide gscore/emodel −10.33 ± 1.06/−111.643 ± 14.16, ( E )‐azo‐paroxetine ( 9 ) −9.35 ± 0.75/101.07 ± 10.33, see Figure S1 in Section A IV.).

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