Stability of Epidoxorubicin Hydrochloride in Aqueous Solutions: Experimental and Theoretical Studies

Abstract

The first-order degradation kinetics of epidoxorubicin were investigated as a function of pH, temperature, and buffers concentrations. The degradation was followed by HPLC. Buffer catalysis was observed in acetate and phosphate buffers. The pH-rate profiles were obtained at 333, 343, 353, and 363 K. The pH-rate expression was pHwhere 1 , 4 , and 5 are the second-order rate constants (mol −1 L s −1 ) for hydrogen ion activity and for hydroxyl ion activity, respectively, and 2 and 3 are the first-order constants (s −1 ) for spontaneous reaction under the influence of water. Epidoxorubicin demonstrates the greatest stability in the pH range 3-5. The electrostatic molecular potential orbitals HOMO-LUMO were also defined in order to determine the cause of the reactivity of particular epidoxorubicin molecule domains in solutions with various pH values.

Computational study of some potential inhibitors of COVID‐19: A DFT analysis

“…An electrophile radical prefers electron-efficient locations whereas a nucleophile radical favours the electron-deficient positions to attack in the species [42]. It is already reported that the system with a high value of dipole moment will show intense aqueous solvation because of superior interface with the dipole moments of the adjoining water molecules [27]. Epirubicin and epoprostenol show the maximum and minimum value of electrophilicity index respectively.…”

“…Sobczak et al . [28] have examined the reactivity of epidoxorubicin in solid as well as in solutions with different pH values. Samide et al .…”

“…They also pointed out the importance of guanosine derivative (IDX-184), setrobuvir and YAK for antiviral therapeutic use to fight the SARS-CoV-2. Toroz et al [27] have investigated the interface among the anthracyclines and two diverse lipid bilayers (unsaturated POPC and saturated DMPC) with the help of molecular dynamics simulations, considering four anthracyclines-doxorubicin, epirubicin, idarubicin and daunorubicin. Sobczak et al [28] have examined the reactivity of epidoxorubicin in solid as well as in solutions with different pH values.…”