In Silico Assessment and Quantitative Estimation of Potential Toxic Impurities From Propafenone (PFN) Through Generic Route and Using UPLC-MS/MS Technique.

The generic and most probable synthetic route for the preparation of propafenone (PFN) has been evaluated, common toxic impurities have been identified, their in silico toxicity has been assessed, and novel UPLC-MS/MS method was developed for the identification and quantification of five potential toxic impurities (PGIs) in the active pharmaceutical ingredients of PFN, a Class 1C antiarrhythmic agent. Five PGIs were identified for this study, namely 1-2-3-amino impurity, 1-2-2-hydroxy impurity, 1-2-oxiran impurity, propafenone, EP-Impurity-C, and EP-Impurity-E and were validated following the International Conference of Harmonization (ICH) guidelines, this methodology is capable of quantifying five PGIs at 1.6 ppm with a sample concentration of 20 mg/mL.

Design, synthesis, molecular docking, and dynamic studies of novel thiazole derivatives incorporating benzimidazole moiety and assessment as antibacterial agents.

A general and sustainable approach for the synthesis of benzimidazole-thiazole compounds via an efficient, one-pot, domino, pseudo-four-component reaction using 5-amino-2-mercaptobenzimidazole, aralkyl halides, ammonium thiocyanate, and substituted α-bromo-acetophenones in glacial acetic acid at ambient temperature to give final compounds (4a-p) in good yields in shorter time. The spectral data of synthesized compounds were evaluated by analytical and spectral techniques (IR, H-NMR, C-NMR, and ESI-HRMS). Further, some of the synthesized compounds were screened for their in-vitro antibacterial activity studies using the agar well diffusion method against Gram-positive Streptococcus pneumoniae (2451) bacteria and Gram-negative Proteous mirabilis (2081) bacteria.