Abstract
The present study demonstrates the solubility and dissolution enhancement of Efavirenz (EFV) through preparation of supramolecular inclusion complexes. The supramolecular system comprising of EFV, hydroxypropyl‑β‑cyclodextrin (HP-β-CD) and L‑Arginine was prepared by physical mixing and spray drying methods. The complexes were characterized by powder X-ray diffraction, differential scanning calorimetry, 1H NMR spectroscopy and FT-IR spectroscopy to study alteration in crystallinity of drug. Intrinsic stability constant values (Kc) and complexation efficiency (CE) of HP-β-CD was substantially enhanced due to addition of L‑Arginine. Improved solubility and dissolution was evidenced in the supramolecular system than binary system of EFV and HP-β-CD. Computational modelling and molecular dynamics study revealed that L‑Arginine increased the stability of the complex by bridging between the EFV and the HP-β-CD. It also confirmed that L‑Arginine was positioned on the outer surface of complex and improved polar surface of inclusion complex resulting in increased solubility of the complex. Thus, supramolecular inclusion complexes of EFV with HP-β-CD and L‑Arginine could contribute as an innovative outcome in formulation development of EFV through solubility and dissolution enhancement.
| Original language | English |
|---|---|
| Pages (from-to) | 55-64 |
| Number of pages | 10 |
| Journal | Journal of Molecular Liquids |
| Volume | 259 |
| DOIs | |
| Publication status | Published - 01-06-2018 |
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All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Spectroscopy
- Physical and Theoretical Chemistry
- Materials Chemistry
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Host-guest interaction study of Efavirenz with hydroxypropyl‑β‑cyclodextrin and L‑arginine by computational simulation studies : Preparation and characterization of supramolecular complexes. / Suvarna, Vasanti; Thorat, Siddhata; Nayak, Usha; Sherje, Atul; Murahari, Manikanta.
In: Journal of Molecular Liquids, Vol. 259, 01.06.2018, p. 55-64.Research output: Contribution to journal › Article
TY - JOUR
T1 - Host-guest interaction study of Efavirenz with hydroxypropyl‑β‑cyclodextrin and L‑arginine by computational simulation studies
T2 - Preparation and characterization of supramolecular complexes
AU - Suvarna, Vasanti
AU - Thorat, Siddhata
AU - Nayak, Usha
AU - Sherje, Atul
AU - Murahari, Manikanta
PY - 2018/6/1
Y1 - 2018/6/1
N2 - The present study demonstrates the solubility and dissolution enhancement of Efavirenz (EFV) through preparation of supramolecular inclusion complexes. The supramolecular system comprising of EFV, hydroxypropyl‑β‑cyclodextrin (HP-β-CD) and L‑Arginine was prepared by physical mixing and spray drying methods. The complexes were characterized by powder X-ray diffraction, differential scanning calorimetry, 1H NMR spectroscopy and FT-IR spectroscopy to study alteration in crystallinity of drug. Intrinsic stability constant values (Kc) and complexation efficiency (CE) of HP-β-CD was substantially enhanced due to addition of L‑Arginine. Improved solubility and dissolution was evidenced in the supramolecular system than binary system of EFV and HP-β-CD. Computational modelling and molecular dynamics study revealed that L‑Arginine increased the stability of the complex by bridging between the EFV and the HP-β-CD. It also confirmed that L‑Arginine was positioned on the outer surface of complex and improved polar surface of inclusion complex resulting in increased solubility of the complex. Thus, supramolecular inclusion complexes of EFV with HP-β-CD and L‑Arginine could contribute as an innovative outcome in formulation development of EFV through solubility and dissolution enhancement.
AB - The present study demonstrates the solubility and dissolution enhancement of Efavirenz (EFV) through preparation of supramolecular inclusion complexes. The supramolecular system comprising of EFV, hydroxypropyl‑β‑cyclodextrin (HP-β-CD) and L‑Arginine was prepared by physical mixing and spray drying methods. The complexes were characterized by powder X-ray diffraction, differential scanning calorimetry, 1H NMR spectroscopy and FT-IR spectroscopy to study alteration in crystallinity of drug. Intrinsic stability constant values (Kc) and complexation efficiency (CE) of HP-β-CD was substantially enhanced due to addition of L‑Arginine. Improved solubility and dissolution was evidenced in the supramolecular system than binary system of EFV and HP-β-CD. Computational modelling and molecular dynamics study revealed that L‑Arginine increased the stability of the complex by bridging between the EFV and the HP-β-CD. It also confirmed that L‑Arginine was positioned on the outer surface of complex and improved polar surface of inclusion complex resulting in increased solubility of the complex. Thus, supramolecular inclusion complexes of EFV with HP-β-CD and L‑Arginine could contribute as an innovative outcome in formulation development of EFV through solubility and dissolution enhancement.
UR - http://www.scopus.com/inward/record.url?scp=85042912763&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85042912763&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2018.02.131
DO - 10.1016/j.molliq.2018.02.131
M3 - Article
VL - 259
SP - 55
EP - 64
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
ER -