About: RMSD plots for Black-SBEβCD and Red-asiaticoside

ngkol

The investigation of binary and ternary sulfobutylether-β-cyclodextrin inclusion complexes with asiaticoside in solution and in solid state

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Details.

Scientist
Thanyada Rungrotmongkol
Protein
SBEβCD
Ligand
asiaticoside
Simulation Duration
100 ns
InChIKey
WYQVAPGDARQUBT-FGWHUCSPSA-N
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O)O)O)O
Molecular Formula
C48H78O19
Protein Details
Cyclodextrins are oligosaccharides having outer hydrophilic surface and central hydrophobic cavity. These agents form inclusion complexes with poorly water-soluble drugs; hence they show an important implication for use in ophthalmics because of their applications in solubilising and stabilising the ocular drugs.
Ligand Details
The asiaticoside enhances the stretching strength of the newly formed skin and promotes the wound's healing. It also prevents the inflammatory process, which may increase the capillary permeability and provoke hypertrophy in abrasions
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