Abstract
CYP719A14 structure analysis and its interaction with ligands via bioinformatic methods. Methods. Homologous modeling of three-dimensional structure of enzyme. Molecular docking. Results. CYP719A14 enzyme, which shows cheilanthifoline synthase activity, model was build based on results of homologous modeling. Interaction of built model with possible substrates – benzylisoquinoline compounds: (S)-Scoulerine, (S)-Cheilanthifoline, (S)-Tetrahydrocolumbamine, (S)-Reticuline was investigated using molecular docking method, thermodynamic characteristics of interaction were calculated. Potential Ligand Access Chanel – potential active center was identified. Conclusions. Potential Ligand Access Chanel CYP719A14 enzyme, which is formed by aminoacids residues PHE57-GLY69, ALA285-ARG310, THR369-HSD390 researched, allowing to use discovered data in alkaloid engineering research with aim to improve Mexican argemone alkaloid profile.
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