Open AccessDevelopment and validation of a reversed-phase HPLC method for determination of assay content of Teriflunomide by the aid of BOMD simulations
Author(s) -
Abolghasem Beheshti,
Zahra Kamalzadeha,
Monireh Haj-Maleka,
Meghdad Payab,
Mohammad Amin Rezvanfar,
Seyyed Amir Siadati
Publication year - 2021
Publication title -
current chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.196
H-Index - 5
eISSN - 1927-7296
pISSN - 1927-730X
DOI - 10.5267/j.ccl.2021.3.001
Subject(s) - chemistry , repeatability , chromatography , acetonitrile , detection limit , molecular dynamics , high performance liquid chromatography , impurity , potassium , linearity , active ingredient , analytical chemistry (journal) , computational chemistry , organic chemistry , bioinformatics , physics , quantum mechanics , biology
Due to the new hopes for treatment of multiple sclerosis (MS) diseases by Teriflunomide (TFN), in this project, a cheap, robust, and fully validated method has been developed both for determination of assay content in API (active pharmaceutical ingredient), and for related impurities analysis (RIA). To operate the method, a common C18, end-capped (250 × 4.6) mm, 5µm liquid chromatography column, was applied. The mobile phase A was prepared by dissolving 2.74 g (20mM) of PDP (potassium dihydrogen phosphate) and 3.72 g (50mM) of PC (potassium chloride) in water (1000 mL). Then, pH was adjusted to 3.0 by adding OPA (ortho-phosphoric acid) 85%; while, the mobile phase B was acetonitrile (ACN) (100%). In order to confirm the experimental data about the λmax of TFN, we have used the Born-Oppenheimer molecular dynamics (BOMD) simulations, quantum mechanics (QM), and TD-DFT calculations. According to the results, the method showed a high level of suitability, specificity, linearity, accuracy, precision, repeatability, robustness, and reliable detection limit.