Publications by authors named "Jie-xin Lin"

2 Publications

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[Study on Material Base of Panax ginseng for Treating Brain Ischemia Based on Molecular Docking].

Zhong Yao Cai 2016 06;39(6):1377-83

Objective: On the basis of molecular docking,to study the mechanism of Panax ginseng in the treatment of ischemic stroke.

Methods: The small molecules of Panax ginseng based on molecular docking technology docked with 20 key targets protein of cerebral ischemia, and multi-component protein target network was established by Cytoscape 3. 1. 1 software. At the same time,the two active molecules of the Panax ginseng of Rb2 and 20( R)-ginsenoside Rg2 were also analyzed by VEGF and Caspase-3,which were the key protein in brain ischemia.

Results: There were 31 active molecules of Panax ginseng combined strongly with five or more than five protein targets after molecular docking, and only four active molecules of Panax ginseng combined strongly with ten or more than ten protein targets. The two active molecules of Rb2 and 20( R)-ginsenoside Rg2 in the Panax ginseng had a very strong combination with VEGF and Caspase-3,respectively,and the docking scores were more than 7. 0.

Conclusion: Molecular docking technology screening active substances of Panax ginseng plays a practical significance in the treatment of ischemic stroke, which offers the foundation to study the chemical constituents of composite prescription.
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June 2016

[Simulation and Prediction of Material Foundation of Rhei Radix et Rhizoma for Ischemic Stroke Based on Molecular Docking Technology].

Zhong Yao Cai 2015 Apr;38(4):781-5

Objective: To apply molecular docking technology for virtual screening of active molecules of Rhei Radix et Rhizoma, and to explore the effective substances.

Methods: 21 key targets proteins related with cerebral ischemia with 52 compounds of Rhei Radix et Rhizoma based on molecular docking technology were combined to select active small molecules. Meanwhile, multi-component protein target network was established by software Cytoscape 2. 8. 1.

Results: It was identified that 23 of those compounds had strong interactions with no less than 10 targets by virtual screening of molecular docking.

Conclusion: The method of virtual screening based on molecular docking can be used to find the active components of Rhei Radix et Rhizoma in treatment of cerebral ischemia. It provides the reference for research on multi-targets of Chinese medicine compound.
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April 2015
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