| Title | Exploring the binding mechanism of Ginsenoside Rd to Bovine Serum Albumin: Experimental studies and computational simulations |
| Authors | Lin, Jialiang Tang, Min Meti, Manjunath D. Liu, Yong Han, Qingguo Xu, Xu Zheng, Yuan He, Zhendan Hu, Zhangli Xu, Hong |
| Affiliation | Shenzhen Univ, Coll Life Sci & Oceanog, Shenzhen Key Lab Marine Bioresource & Ecoenvironm, Shenzhen Engn Lab Marine Algal Biotechnol,Guangdo, Shenzhen 518060, Peoples R China Shenzhen Univ, Coll Optoelect Engn, Key Lab Optoelect Devices & Syst, Minist Educ & Guangdong Prov, Shenzhen, Peoples R China Peking Univ, Shenzhen Hosp, Shenzhen Peking Univ Hong Kong Univ Sci & Technol, Dept Bone & Joint Surg, Shenzhen, Peoples R China Shenzhen Technol Univ, Coll Pharm, Shenzhen, Peoples R China |
| Issue Date | Apr-2021 |
| Publisher | JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY |
| Abstract | The interaction of bovine serum albumin (BSA) with Ginsenoside Rd (GSRd) was studied using multiple spectroscopic methods, isothermal titration calorimetry (ITC), molecular docking and density functional theory (DFT) calculation. The fluorescence experiments showed that GSRd quenched BSA intrinsic fluorescence via a static quenching process because of the formation of the GSRd-BSA complex. UV-visible and circular dichroism (CD) spectral studies indicated that the binding of GSRd to BSA resulted in the loosening and unfolding of BSA backbone, with the loss of partial alpha-helix structures. Also, thermodynamic parameters obtained from ITC experiment suggested that BSA-binding of GSRd was a spontaneous endothermic reaction driven by entropy, and that hydrophobic interactions were the main forces within the BSA-GSRd complex. Additionally, docking studies and DFT calculation further implied that hydrogen bonds also helped stabilize the GSRd-BSA system. These research results could help us better understand the pharmacokinetic behavior of GSRd, and provide useful conformational change information of BSA induced by the bound drugs, to the design of analogues drugs with more effective pharmacological properties. |
| URI | http://hdl.handle.net/20.500.11897/611842 |
| ISSN | 0193-2691 |
| DOI | 10.1080/01932691.2021.1915154 |
| Indexed | SCI(E) |
| Appears in Collections: | 深圳医院 |
