Exploring the Inclusion Complex of an Anticancer Drug with ß-Cyclodextrin for Reducing Cytotoxicity Toward the Normal Human Cell Line by an Experimental and Computational Approach.

The toxicity of any drug against normal cells is a health hazard for all humans. At present, health and disease researchers from all over the world are trying to synthesize designer drugs with diminished toxicity and side effects. The purpose of the present study is to enhance the bioavailability and biocompatibility of gemcitabine (GEM) by decreasing its toxicity and reducing deamination during drug delivery by incorporating it inside the hydrophobic cavity of ß-cyclodextrin (ß-CD) without affecting the drug ability of the parent compound (GEM). The newly synthesized inclusion complex (IC) was characterized by different physical and spectroscopic techniques, thereby confirming the successful incorporation of the GEM molecule into the nanocage of ß-CD. The molecular docking study revealed the orientation of the GEM molecule into the ß-CD cavity (-5.40 kcal/mol) to be stably posed for ligand binding. Photostability studies confirmed that the inclusion of GEM using ß-CD could lead to better stabilization of GEM (≥96%) for further optical and clinical applications. IC (GEM-ß-CD) and GEM exhibited effective antibacterial and antiproliferative activities without being metabolized in a dose-dependent manner. The CT-DNA analysis showed sufficiently strong IC (GEM-ß-CD) binding (Ka = 8.1575 × 1010), and this interaction suggests that IC (GEM-ß-CD) may possibly exert its biological effects by targeting nucleic acids in the host cell. The newly synthesized biologically active IC (GEM-ß-CD), a derivative of GEM, has pharmaceutical development potentiality.

Physico-Chemical Studies of Some Bio-active Solutes in Pure Methanoic Acid.

The apparent molar volume (ΦV), viscosity B-coefficient, adiabatic compressibility (ΦK) and molar refraction (R) of L-Glycine, L-Alanine, L-Valine and L-Leucine have been determined in methanoic acid at 298.15 K from density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) respectively. The apparent molar volumes have been extrapolated to zero concentration to obtain the limiting values at infinite dilution using Masson equation. The limiting apparent molar volume (ΦV0) and experimental slopes (S*V) obtained from the Masson equation have been interpreted in terms of solute-solvent and solute-solute interactions, respectively. The viscosity data were analyzed using the Jones-Dole equation, and the derived parameters A and B have also been interpreted in terms of solute-solute and solute-solvent interactions, respectively in the solutions. Molar refraction (R) have been calculated using the Lorentz-Lorenz equation. Limiting apparent molar adiabatic compressibilities (ΦK0) of these amino acids at infinite dilution were evaluated.