Cyclosporin Structure and Permeability: From A to Z and Beyond
2021年9月3日 · Here we review experimental studies of cyclosporin structure and permeability, including cyclosporin–metal complexes. We also discuss models for the conformation-dependent permeability of cyclosporins and similar compounds.
Properties and Stability of a Liquid Crystal Form of Cyclosporine…
2003年2月3日 · A new solid-state form of cyclosporine produced by spray-drying exhibited characteristics consistent with a liquid crystal. No sharp diffraction peaks were observed by powder X-ray diffraction; however, analysis by both small-angle X-ray diffraction (SAXR) and microscopic under polarized light (PLM) confirmed the existence of two-dimensional ...
Development of the force field for cyclosporine A - PMC
2022年11月19日 · The three-dimensional structure of CsA has been investigated to elucidate the molecular mechanism underlying its cell membrane permeability [7–12]. In the crystal structure, CsA adopts two forms: closed and open (Figure 1 B and and1C). 1 C). The open form was observed in the crystal structure of CsA complexed with CyP . In the open form, no ...
Structures of cyclosporin A. (A) The chemical structural formula …
(A) The chemical structural formula of cyclosporin A. (B) The crystal structure of the closed form of cyclosporin A from Cambridge structural database (CSD) [CDC ID: DEKSAN]. Black dotted...
Secondary Structure of Cyclosporine in a Spray-Dried Liquid Crystal …
2003年2月3日 · The conformational state of cyclosporine in liquid crystalline spray-dried powders and the solution structure of cyclosporine, in a series of organic solvents where solvent dipole and hydrogen bonding ability varied, were determined.
ABSTRACT: The conformational state of cyclosporine in liquid crystalline spray-dried powders and the solution structure of cyclosporine, in a series of organic solvents where solvent dipole and hydrogen bonding ability varied, were determined. Fourier transformed infrared spectra (FTIR) were obtained on cyclosporine powders, and cyclosporine ...
Molecular dynamics simulations of cyclosporin A: the crystal structure ...
The conformation of the immunosuppressive drug cyclosporin A (CPA), both in apolar solution and in crystalline state, has been studied by computer simulation techniques. Three molecular dynamics (MD) simulations have been performed: one modelling the crystal structure and two modelling the structure …
Background: Cyclosporin A (CsA) is a cyclic undeca-peptide fungal metabolite with immunosuppressive prop-erties, widely used in transplant surgery. It forms a tight complex with the ubiquitous 18 kDa cytosolic protein cyclophilin A (CypA).
RCSB PDB - 1CWA: X-RAY STRUCTURE OF A MONOMERIC …
1995年9月6日 · The crystal structure of a complex between recombinant human cyclophilin A (Cyp) and cyclosporin A (CsA) has been determined from a novel orthorhombic crystal form that contains only one monomer of complex per asymmetric unit rather than five in the previously determined tetragonal structure.
Conformational polymorphism of cyclosporin A: Structure - Cell …
High resolution X-ray structures of complexes of cyclosporin with human cyclophilin B and mouse cyclophilin C have also been determined. A distinctly different conformation of CsA has been observed in the crystal structure of a complex of CsA with an anti-CsA antibody fragment (Fab) .