Objective: To study potential targets of Danshensu via dual inverse docking. Method: PharmMapper andidTarget servers were used as tools, and the results were checked with the molecular docking program autodockvina in PyRx 0.8. Result: The disease-related target HRas was rated top, with a pharmacophore model matchingwell the molecular features of Danshensu. In addition, docking results indicated that the complex was alsomatched in terms of structure, H-bonds, and hydrophobicity. Conclusion: Dual inverse docking indicates thatHRas may be a potential anticancer target of Danshensu. This approach can provide useful information forstudying pharmacological effects of agents of interest.
(2014). Identification of a Potential Anticancer Target of Danshensu by Inverse Docking. Asian Pacific Journal of Cancer Prevention, 15(1), 111-116.
MLA
. "Identification of a Potential Anticancer Target of Danshensu by Inverse Docking". Asian Pacific Journal of Cancer Prevention, 15, 1, 2014, 111-116.
HARVARD
(2014). 'Identification of a Potential Anticancer Target of Danshensu by Inverse Docking', Asian Pacific Journal of Cancer Prevention, 15(1), pp. 111-116.
VANCOUVER
Identification of a Potential Anticancer Target of Danshensu by Inverse Docking. Asian Pacific Journal of Cancer Prevention, 2014; 15(1): 111-116.
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