Study on the molecular docking of PDE9A homologous 3JSW and Torreyunlignans derivatives
Author(s): LI Honglei, LI Feifei, MA Shaojie
Pages: 511-513
Year: 2016 Issue: 9
Journal: Qilu Pharmaceutical Affairs
Keyword: Torreya yunnanensis; PDE9A; Torreyunlignans; Molecular docking;
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.
Pages: 511-513
Year: 2016 Issue: 9
Journal: Qilu Pharmaceutical Affairs
Keyword: Torreya yunnanensis; PDE9A; Torreyunlignans; Molecular docking;
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.
Related Articles