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Modeling the Chromatographic Behavior of Antibacterial Peptides under Conditions of RP HPLC

  • PHYSICAL CHEMISTRY OF SEPARATION PROCESSES: CHROMATOGRAPHY
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Abstract

Experimental results from determining parameters of the chromatographic retention of antimicrobial peptides of the immunized hemolymph of Galleria mellonella under conditions of gradient reversed-phase high-performance liquid chromatography (RP HPLC) are compared to ones from theoretical calculations by analyzing their parameters of hydrophobicity (SSRCalc model) or effective energies of the adsorption of amino acid residues to predict the retention of peptides and solvent components (BioLCCC model). It is found that none of the considered models fully describes the separation of antimicrobial peptides differing in structure and composition, but the SSRCalc algorithm allows acceptable reliability to be achieved in predicting the retention of 1–7 kDa peptides. The greatest errors of approximation are found for peptides with disulfide bridges and unprotected terminal polar functional groups.

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Authors and Affiliations

  1. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 119071, Moscow, Russia

    K. E. Polunin, I. A. Polunina & A. K. Buryak

  2. OOO SamaraNIPINeft, 443010, Samara, Russia

    O. S. Fedotkina

Authors
  1. K. E. Polunin
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  2. O. S. Fedotkina
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  3. I. A. Polunina
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  4. A. K. Buryak
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Correspondence to A. K. Buryak.

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Translated by M. Drozdova

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Polunin, K.E., Fedotkina, O.S., Polunina, I.A. et al. Modeling the Chromatographic Behavior of Antibacterial Peptides under Conditions of RP HPLC. Russ. J. Phys. Chem. 96, 1314–1321 (2022). https://doi.org/10.1134/S0036024422060188

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  • DOI: https://doi.org/10.1134/S0036024422060188

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