Synthesis, characterization, Liquid crystal properties study, molecular docking simulation and antibacterial activity of new porphyrin esters
DOI:
https://doi.org/10.54153/sjpas.2025.v7i4.1143Keywords:
Liquid crystal, Molecular docking, Porphyrin ester, Antibacterial activityAbstract
This report highlights preparing a new porphyrine ester molecule. the first step synthesis of core structure (porphyrine) through condensing of pyrrole with p-hydroxybenzaldehyde in propionic acid. Then 4-hydroxy ethyl benzoate (S9) was prepared then linked to porphyrin core structure to constitute S10 derivative. Finally, S10 derivative esterified with various carboxylic acids to obtain (S11-S17) compounds. The structure of ultimate compounds was established by FT-IR, 1H-NMR and 13C-NMR, where the obtained results confirmed the suggested structure. The liquid crystal feature of these molecules was established via polarized light microscope equipped with a heater (POM) where the obtained derivatives (S12-S15) showed distinct liquid crystal phases. Molecular docking investigation was performed for the high antibacterial obtained derivatives (S11-S13) where the results showed these derivatives with a good docking score and best binding images.
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