Study on the molecular docking of PDE9A homologous 3JSW and Torreyunlignans derivatives
LI Honglei
LI Feifei
MA Shaojie
Abstract：Objective To study on the relationships about the Torreyunlignans from Torreya yunnanensis with PDE9A by using the molecular docking technology.Methods SYBYL X1.3 program was used to study the mechanism of interaction between 3JSW and two isomers Torreyunlignans from Torreya yunnanensis.Results The two isomers(compound 1a and 1b) were docked to 3JSW by total scores with 9.45 and 10.24,and the numbers of hydrogen bonds were 0 and 2,respectively. Conclusion The molecular docking results provided the mechanism of the reason why the two isomers with differ inhibit-activities to the target protein PDE9A.
Keywords：Torreya yunnanensisPDE9ATorreyunlignansMolecular docking
Publication Date：2016-01-01
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：3( 511-513 )