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In Silico Study on the Structure of Novel Natural Bioactive Peptides

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Large-Scale Scientific Computing (LSSC 2019)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 11958))

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Abstract

Antimicrobial peptides (AMPs) are an abundant and diverse group of molecules produced by many tissues and cell types in a variety of invertebrate, plant and animal species in contact with infectious microorganisms. They play a crucial role as mediators of the primary host defense against microbial invasion. The characteristics, the broad spectrum and largely nonspecific activity of the antimicrobial peptides qualify them as possible candidates for therapeutic alternatives against multi-resistant bacterial strains.

AMPs come in nature in the form of multicomponent secretory fluids that exhibit certain biological activity. For development of biologicals with some predesignated properties separation of the individual components, their purification and activity analysis are needed. In silico experiments are designed to speedup the identification of the active components in these substances, understanding of their structural specifics and biodynamics.

Here we present the first results of a pilot in silico study on the primary structure formation of newly identified in the mucus of molluscs representatives peptides, as a prerequisite for understanding the possible role of complexation for their biological activity.

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Acknowledgements

This work was supported in part by the Bulgarian Ministry of Education and Science (Grant D01-217/30.11.2018) under the National Research Programme “Innovative Low-Toxic Bioactive Systems for Precision Medicine (BioActiveMed)” approved by DCM # 658/14.09.2018 and by the Bulgarian Science Fund (Grant KP-06-OPR 03-10/2018). Computational resources were provided by the HPC Cluster at the Faculty of Physics at Sofia University “St. Kl. Ohridski”.

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Authors and Affiliations

  1. Institute of Information and Communication Technologies at the Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Block 25A, 1113, Sofia, Bulgaria

    Nevena Ilieva & Elena Lilkova

  2. Institute of Mathematics and Informatics at the Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Block 8, 1113, Sofia, Bulgaria

    Nevena Ilieva

  3. Faculty of Physics, Atomic Physics Department, Sofia University “St. Kliment Ohridski”, 5 J. Bouchier Blvd, 1164, Sofia, Bulgaria

    Peicho Petkov, Tsveta Lazarova & Leandar Litov

  4. Institute of Organic Chemistry with Centre of Phytochemistry at the Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Block 9, 1113, Sofia, Bulgaria

    Aleksandar Dolashki, Lyudmila Velkova & Pavlina Dolashka

Authors
  1. Nevena Ilieva
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  2. Peicho Petkov
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  3. Elena Lilkova
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  4. Tsveta Lazarova
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  5. Aleksandar Dolashki
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  6. Lyudmila Velkova
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  7. Pavlina Dolashka
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  8. Leandar Litov
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Corresponding author

Correspondence to Nevena Ilieva .

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Editors and Affiliations

  1. Bulgarian Academy of Sciences, Sofia, Bulgaria

    Ivan Lirkov

  2. Bulgarian Academy of Sciences, Sofia, Bulgaria

    Svetozar Margenov

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Ilieva, N. et al. (2020). In Silico Study on the Structure of Novel Natural Bioactive Peptides. In: Lirkov, I., Margenov, S. (eds) Large-Scale Scientific Computing. LSSC 2019. Lecture Notes in Computer Science(), vol 11958. Springer, Cham. https://doi.org/10.1007/978-3-030-41032-2_38

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  • DOI: https://doi.org/10.1007/978-3-030-41032-2_38

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-030-41031-5

  • Online ISBN: 978-3-030-41032-2

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