Exploring the binding pattern between pepsin and deferasirox using detailed experimental and computer simulation methods

@article{Yang2018ExploringTB,
  title={Exploring the binding pattern between pepsin and deferasirox using detailed experimental and computer simulation methods},
  author={Ji Yang and Qiaohong Du and Na Gan and Yongkuan Chen and Liu Yang and Zhihua Liu and H Zhao and Qiaomei Sun and Hui Li},
  journal={RSC Advances},
  year={2018},
  volume={8},
  pages={37208 - 37218},
  url={https://api.semanticscholar.org/CorpusID:92216252}
}
Pepsin enzyme activity test showed that the addition of DFX had a slight enhancement effect on the activity of pepsin, which may affect the electrical environment of Asp-215 residues and enhance theActivity of pepin.

Insights into the interaction of ulipristal acetate and human serum albumin using multi-spectroscopic methods, molecular docking, and dynamic simulation

Results indicated that UPA can stabilize HSA to a certain degree and enhance the flexibility of residues around site I and hydrophobicity around the tryptophan residues declined, whereas its polarity increased.

Identification of modes of interactions between 9-aminoacridine hydrochloride hydrate and serum proteins by low and high resolution spectroscopy and molecular modeling

Thermodynamic analyses indicate that the binding of 9AA-HCl with BSA and HSA is controlled primarily by changes in enthalpy and entropy, respectively, with corresponding binding stoichiometries of 1:1 and 1:2, respectively.

Insights into the molecular interaction between two polyoxygenated cinnamoylcoumarin derivatives and human serum albumin.

Two representatives of coumarin-chalcone hybrids were selected and their binding mechanism was identified via thermodynamics techniques, curve resolution analysis and computational methods at molecular levels, which point to only one pocket located near the Trp214 residue in subdomain IIA of HSA.