Publication detail

Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride−Captisol Inclusion Complexes

PAL, A. ROY, S. KUMAR, A. MAHMOOD, S. KHODAPANAH, N. THOMAS, S. AGATEMOR, C. GHOSAL, K.

Original Title

Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride−Captisol Inclusion Complexes

English Title

Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride−Captisol Inclusion Complexes

Type

journal article in Web of Science

Language

en

Original Abstract

This present study investigated the effect of Captisol, a chemically modified cyclodextrin, on the in vitro dissolution of glimepiride. We prepared glimepiride−Captisol complexes of different mass ratios (1:1, 1:2, and 1:3 w/w) by a physical mixing or freeze-drying technique, and found that complexation with Captisol enhanced the water solubility of glimepiride. Molecular docking and dynamic simulation predicted complex formation; at the same time, Fourier transform infrared spectroscopy, differential scanning calorimetry, powder X-ray diffractometry, and scanning electron microscope indicated molecular interactions that support complexation. We also found that an inclusion complex was better than a physical mixture in enhancing the complexation of glimepiride with Captisol and enhancing water solubility. Phase solubility study of the glimepiride−Captisol complex showed an AL-type profile, implying the formation of a 1:1 inclusion complex. The study also revealed that pH influenced the stability of the complex because the stability constant of the glimepiride−Captisol complex was higher in distilled water of pH ∼6.0 than in phosphate buffer of pH 7.2.

English abstract

This present study investigated the effect of Captisol, a chemically modified cyclodextrin, on the in vitro dissolution of glimepiride. We prepared glimepiride−Captisol complexes of different mass ratios (1:1, 1:2, and 1:3 w/w) by a physical mixing or freeze-drying technique, and found that complexation with Captisol enhanced the water solubility of glimepiride. Molecular docking and dynamic simulation predicted complex formation; at the same time, Fourier transform infrared spectroscopy, differential scanning calorimetry, powder X-ray diffractometry, and scanning electron microscope indicated molecular interactions that support complexation. We also found that an inclusion complex was better than a physical mixture in enhancing the complexation of glimepiride with Captisol and enhancing water solubility. Phase solubility study of the glimepiride−Captisol complex showed an AL-type profile, implying the formation of a 1:1 inclusion complex. The study also revealed that pH influenced the stability of the complex because the stability constant of the glimepiride−Captisol complex was higher in distilled water of pH ∼6.0 than in phosphate buffer of pH 7.2.

Keywords

Glimepiride;Captisol;molecular docking;molecular simulation

Released

01.08.2020

Publisher

AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Location

USA

ISBN

2470-1343

Periodical

ACS OMEGA

Year of study

5

Number

32

State

US

Pages from

19968

Pages to

19977

Pages count

10

URL

Documents

BibTex


@article{BUT165567,
  author="Arpita {Pal} and Sudeep {Roy} and Akhil {Kumar} and Syed {Mahmood} and Nasrin {Khodapanah} and Sabu {Thomas} and Christian {Agatemor} and Kajal {Ghosal}",
  title="Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride−Captisol Inclusion Complexes",
  annote="This present study investigated the effect of Captisol, a chemically modified cyclodextrin, on the in vitro dissolution of glimepiride. We prepared glimepiride−Captisol complexes of different mass ratios (1:1, 1:2, and 1:3 w/w) by a physical mixing or freeze-drying technique, and found that complexation with Captisol enhanced the water solubility of glimepiride. Molecular docking and dynamic simulation predicted complex formation; at the same time, Fourier transform infrared spectroscopy, differential scanning calorimetry, powder X-ray diffractometry, and scanning electron microscope indicated molecular interactions that support complexation. We also found that an inclusion complex was better than a physical mixture in enhancing the complexation of glimepiride with Captisol and enhancing water solubility. Phase solubility study of the glimepiride−Captisol complex showed an AL-type profile, implying the formation of a 1:1 inclusion complex. The study also revealed that pH influenced the stability of the complex because the stability constant of the glimepiride−Captisol complex was higher in distilled water of pH ∼6.0 than in phosphate buffer of pH 7.2.",
  address="AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA",
  chapter="165567",
  doi="10.1021/acsomega.0c01228",
  howpublished="online",
  institution="AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA",
  number="32",
  volume="5",
  year="2020",
  month="august",
  pages="19968--19977",
  publisher="AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036 USA",
  type="journal article in Web of Science"
}