Computational design for eco-friendly visible spectrophotometric platform used for the assay of the antiviral agent in pharmaceutical dosage form

Abstract

Nowadays, the analytical community is focusing on developing new analytical methods that incorporate principles of green analytical chemistry to reduce adverse impacts on the environment and humans. In this study, we focused specifically on establishing a correlated connection between theoretical and experimental applications via developing green, and eco-friendly visible spectrophotometric methods. These methods were relied on charge-transfer complexation (CTC) between ledipasvir and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), or chloranilic acid (CA) for sensitive colorimetric analysis of ledipasvir in the presence of sofosbuvir (Sofolanork plus®). The results were evaluated as modern computational chemistry using molecular modeling technology. At ambient temperature, the reactions for DDQ and CA took 15 and 10 min, respectively, to produce a purple red-colored solution with DDQ absorbing maximally at 588 nm and a purple-colored solution with CA absorbing maximally at 522 nm. Linearity was achieved for ledipasvir utilizing DDQ and CA in the concentration ranges of 8–80 µg.mL−1 and 40–400 µg.mL−1, respectively. The precision and accuracy of the methods mentioned were determined. Finally, the results were statistically compared to a previously published spectrophotometric technique, and no significant differences were found.