1H and 13C NMR assignments of abietane diterpenes from Aegiphila lhotzkyana

Barros, Maria Claudia Pinheiro; Lima, Mary Anne Sousa; Braz-Filho, Raimundo; Silveira, Edilberto R.

doi:10.1002/mrc.1236

Cited by 8 publications

(1 citation statement)

References 11 publications

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“…Additional detailed descriptions of assignments can be found in Fig S6 . This approach is commonly used in NMR spectroscopy, where the chemical shifts of -OH and amine functional groups can be in uenced by the speci c molecular environment. Focusing on the characteristic peaks and functional groups made it easier to assign these signals and interpret the NMR data accurately [40,41].…”

Section: Nmrmentioning

confidence: 99%

A study of monophasic supramolecular formulation of Sulpiride with P-glycoprotein efflux inhibitor to enhance solubility and intestinal permeability with molecular modeling insights

Pardhi¹,

Tomar²,

Khemchandani³

et al. 2023

Preprint

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The aim of the study was to design and develop a supramolecular formulation of sulpiride (SUL) to enhance its solubility, dissolution, and permeability. This was accomplished by co-amorphizing SUL with Naringin (NARI) to improve its physicochemical properties. In addition, NARI was incorporated as a co-former to enhance the drug's intestinal permeability by targeting P-glycoprotein (P-gp) inhibition. To confirm the intermolecular interaction and formation of the co-amorphous system, extensive characterization was performed. This included quantum mechanics-based molecular dynamics simulation studies investigating intermolecular interactions and phase transformation. The findings of the miscibility study, Radial Distribution Function (RDF) analysis, and quantitative simulations of hydrogen/π-π bond interactions helped in comprehending the co-amorphization aspects of SUL-NARI systems. Molecular docking studies were conducted to predict the in-silico biological activity. The solubility, dissolution, and ex-vivo permeability studies were performed to determine the extent of improvement in solubility, dissolution and flux, demonstrating 31.88-fold, 9.13-fold, and 1.91-fold increments, respectively. In conclusion, this study demonstrates the benefits of synthesizing a drug-nutraceutical supramolecular formulation to enhance the solubility and permeability of poorly soluble and permeable drug.

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Section: Nmrmentioning

confidence: 99%

A study of monophasic supramolecular formulation of Sulpiride with P-glycoprotein efflux inhibitor to enhance solubility and intestinal permeability with molecular modeling insights

Pardhi¹,

Tomar²,

Khemchandani³

et al. 2023

Preprint

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Volatile composition of leaves fromAegiphila lhotzkiana Cham.

et al. 2005

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Leaves of Aegiphila lhotzkiana growing in the north-east of Brazil were submitted to hydrodistillation and analysed by GC-MS. The essential oil was characterized by high amounts of sesquiterpene hydrocarbons (87.0%), of which β β β β β-caryophyllene (27.5%), α α α α α-copaene (12.1%), caryophyllene oxide (10.5%) were predominant. Monoterpenes were represented only by oxygenated compounds, but in minor percentages (4.3%). This is the first report of any essential oil from Aegiphila species.

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