Investigation of molecular interactions insight into some biologically active amino acids and aqueous solutions of an anti-malarial drug by physicochemical and theoretical approach

Mondal, Modhusudan; Basak, Sankar; Choudhury, Subhankar; Ghosh, Narendra Nath; Roy, Mahendra Nath

doi:10.1016/j.molliq.2021.116933

Cited by 25 publications

(38 citation statements)

References 49 publications

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“…The rising trend of viscosity B -coefficient with temperature and also with the mass fraction of the aqueous β-CD mixture indicates that the developing interaction between the solute and solvent is boosted with increasing temperature as well as the mass fraction of aqueous β-CD solutions. 34 , 41 These findings are reliable with those obtained using ϕ V 0 values.…”

Section: Resultssupporting

confidence: 88%

“…Volumetric parameters such as apparent molar volume (ϕ V ) and limiting apparent molar volume (ϕ V 0 ) are important tools for understanding molecular interactions in solutions. 34 The ϕ V is equal to the geometric volume of the central solute molecule plus variations in the solvent volume owing to interaction with the solute as it moves about the co-sphere. As a result, ϕ V was computed using the appropriate equation from solution densities, 35 and the results are presented in Tables S6–S12 .…”

Section: Resultsmentioning

confidence: 99%

“…The increasing trends of the B -coefficient values with the temperature of the studied solute, dyphylline (positive d B/ d T ), indicate that the solute is categorized as a structure-breaker. 34 , 41 …”

Section: Resultsmentioning

confidence: 99%

“…The refractive index ( n D ) calculation is also an important tool to investigate the molecular interactions that occur in the solution. 34 , 55 The molar refraction ( R M ) is calculated with the help of the Lorentz–Lorenz relation. 56 where R M stands for molar refraction, n D for refractive index, M for molar mass, and ρ for density of the solution, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…A negative sign or small positive value of (δϕ E 0 /δ T ) P indicates that the molecule is a structure-breaker; else, it is a structure-maker. ,, Table displays that (δϕ E 0 /δ T ) P data of dyphylline are small positive or negative signs under investigation. The results suggest that solutes are definitely structure-breakers in all of the solutions under observation; i.e., they disrupt the solvent structure by increasing the solute–solvent interactions.…”

Section: Resultsmentioning

confidence: 99%

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Probing the Molecular Assembly of a Metabolizer Drug with β-Cyclodextrin and Its Binding with CT-DNA in Augmenting Antibacterial Activity and Photostability by Physicochemical and Computational Methodologies

et al. 2022

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The assembly of an inclusion complex in an aqueous medium using a metabolizer drug (dyphylline) as guest and β-cyclodextrin as host has been established, which is extremely appropriate for a variety of applications in modern biomedical sciences. The formation of the inclusion complex is established by 1 H NMR, and surface tension and conductivity measurements demonstrate that the inclusion complex was produced with 1:1 stoichiometry. The thermodynamic parameters based on density, viscosity, and refractive index measurements were used to determine the nature of the complex. This research also forecasts how dyphylline will release in the presence of CT-DNA without any chemical modifications. The produced insertion complex (IC) has a higher photostability due to the drug dyphylline being protected by β-CD. The antibacterial activity of dyphylline greatly improved after complexation and exhibited higher toxicity against Gram-negative (highest against Escherichia coli ) in comparison to Gram-positive bacteria. The encapsulation mode of the dyphylline molecule into the cavity of the β-CD was also investigated using DFT to confirm preliminary results.

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Section: Resultssupporting

confidence: 88%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 3 more Smart Citations

Probing the Molecular Assembly of a Metabolizer Drug with β-Cyclodextrin and Its Binding with CT-DNA in Augmenting Antibacterial Activity and Photostability by Physicochemical and Computational Methodologies

et al. 2022

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Concentration‐ and Solvent‐Induced Chiral Tuning by Manipulating Non‐Proteinogenic Amino Acids in Glycoconjugate Supra‐Scaffolds: Interaction with Protein, and Streptomycin Delivery

Ghosh,

Mandal,

Dubey

et al. 2023

Chemistry A European J

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We showed solvent‐ and concentration‐triggered chiral tuning of the fibrous assemblies of two novel glycoconjugates Z‐P(Gly)‐Glu and Z‐F(4‐N)‐Glu made by chemical attachment of Cbz‐protected [short as Z)] non‐proteinogenic amino acids L‐phenylglycine [short as P(Gly)] and 4‐Nitro‐L‐phenylalanine [short as F(4‐N)] with D‐glucosamine [short as Glu]. Both biomimetic gelators can form self‐healing and shape‐persistent gels with a very low critical gelator concentration in water as well as in various organic solvents, indicating they are ambidextrous supergelators. Detailed spectroscopic studies suggested β‐sheet secondary structure formation during anisotropic self‐aggregation of the gelators which resulted in the formation of hierarchical left‐handed helical fibers in acetone with an interlayer spacing of 2.4 nm. After the physical characterization of the gels, serum protein interaction with the gelators was assessed, indicating they may be ideal for biomedical applications. Further, both gelators are benign, non‐immunogenic, non‐allergenic, and non‐toxic in nature, which was confirmed by performing the blood parameters and liver function tests on Wister rats. Streptomycin‐loaded hydrogels showed efficacious antibacterial activity in vitro and in vivo as well. Finally, cell attachment and biocompatibility of the hydrogels were demonstrated which opens a newer avenue for promising biomedical and therapeutic applications.

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Exploring the Effect of Ammonium Acetate on Volumetric, Viscometric and Conductive Properties of l-Aspartic Acid in Aqueous Medium at Different Temperatures

Talukdar,

Dey,

Panda

et al. 2023

J Solution Chem

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Investigation of molecular interactions insight into some biologically active amino acids and aqueous solutions of an anti-malarial drug by physicochemical and theoretical approach

Cited by 25 publications

References 49 publications

Probing the Molecular Assembly of a Metabolizer Drug with β-Cyclodextrin and Its Binding with CT-DNA in Augmenting Antibacterial Activity and Photostability by Physicochemical and Computational Methodologies

Probing the Molecular Assembly of a Metabolizer Drug with β-Cyclodextrin and Its Binding with CT-DNA in Augmenting Antibacterial Activity and Photostability by Physicochemical and Computational Methodologies

Concentration‐ and Solvent‐Induced Chiral Tuning by Manipulating Non‐Proteinogenic Amino Acids in Glycoconjugate Supra‐Scaffolds: Interaction with Protein, and Streptomycin Delivery

Exploring the Effect of Ammonium Acetate on Volumetric, Viscometric and Conductive Properties of l-Aspartic Acid in Aqueous Medium at Different Temperatures

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