Abstract
This study was aimed to find out the solubility, thermodynamic behavior, Hansen solubility parameters and molecular interactions of an antiviral drug emtricitabine (ECT) in various “[polyethylene glycol-400 (PEG-400) + water]” mixtures. The solubility of ECT in mole fraction was determined at “T = 298.2 to 318.2 K” and “p = 0.1 MPa” using an isothermal method. The experimental solubilities of ECT in mole fraction were validated and correlated using various computational models which includes “Van’t Hoff, Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van’t Hoff models”. All the models performed well in terms of model correlation. The solubility of ECT was increased with the raise in temperature in all “PEG-400 + water” mixtures studied. The highest and lowest solubility values of ECT were found in pure PEG-400 (1.45 × 10−1) at “T = 318.2 K” and pure water (7.95 × 10−3) at “T = 298.2 K”, respectively. The quantitative values of activity coefficients indicated higher interactions at molecular level in ECT and PEG-400 combination compared with ECT and water combination. “Apparent thermodynamic analysis” showed an “endothermic and entropy-driven dissolution” of ECT in all “PEG-400 + water” combinations studied. The solvation nature of ECT was found an “enthalpy-driven” in each “PEG-400 + water” mixture studied.
Highlights
Introduction1. Introduction Chemically, emtricitabine (ECT) is 5-fluoro-1-(2R,5S)-[2-(hydroxymethyl)-1,3-oxathiolan-5-
The X-ray diffraction (XRD) spectra of pure and equilibrated ECT suggested that the physical form of the ECT remained unchanged after solubility experiments [29]
This study aimed to find out solubility, HSPs and apparent thermodynamic parameters of ECT in various “Polyethylene glycol-400 (PEG-400) + water” mixtures and pure solvents at “T = 298.2 to 318.2 K” and “p = 0.1 MPa”
Summary
1. Introduction Chemically, emtricitabine (ECT) is 5-fluoro-1-(2R,5S)-[2-(hydroxymethyl)-1,3-oxathiolan-5-. Yl]cytoCsihneem(Ficigaullrye, 1)e[m1]t.rIictsitmaboilneecul(aErCfoTr)muisla,5m-folulaorrmo-a1s-s(2aRn,d5SC)A-[2S-r(ehgyidstrroyxnyummebtheryal)r-e1,C38-oHx1a0tFhNio3lOan3S-5, 24y7l].2cy4tgosminoel−(1Faignudr1e4314)91[1,2,3,4,5].4-I7t,sremspoelcetciuvlealry [f1o,r2m]. Ula, molar mass and CAS registry number are. C8H10FN3O3S, 247.24 g mol−1 and 143491-54-7, respectively [1,2]. ItItisisaappotoetnetnitailailnihnhibiibtiotrorofofhhuummananimimmmuunnooddefiefciiceinencycyvviriurus stytyppeeI I(H(HIVIV-I-)Ir)erveevresresetrtarnasncsrcirpiptatsaese anadnd, h, ehnecnec,ef,ofuonudndtotobebeeffeeffcetcivtieveagaagianisntsHt HIVI-VI -iInifnecfetecdtedpaptiaetnietns t[s1,[31],.3]E. CETCTisipsrpersecsrcibriebdedtototretraetaHt HIVI-VI - I infected patients either alone or in combination with other antiviral agents [3,4,5].
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