Clostridium perfringens sialidase interaction with Neu5Ac α-Gal sialic acid receptors by in-silico observation and its impact on monolayers cellular behavior structure

This study aims to evaluate the effect of sialidase treatment on monolayer cell behavior using computational screening and an approach to demonstrate interaction between enzyme-based drugs and ligands in host cells. The study was carried out by molecular docking analysis used to predict the interact...

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Bibliographic Details
Published in:Journal of advanced veterinary and animal research 2023-12, Vol.10 (4), p.667-676
Main Authors: Kurnia, Ryan Septa, Soebandrio, Amin, Harun, Vivi Hardianty, Nugroho, Christian Marco Hadi, Krisnamurti, Desak Gede Budi, Poetri, Okti Nadia, Indrawati, Agustin, Tarigan, Simson, Natih, Ketut Karuni Nyanakumari, Ibrahim, Fera, Sudarmono, Pratiwi Pudjilestari, Silaen, Otto Sahat Martua
Format: Article
Language:English
Subjects:
Acids
c. perfringens
in silico
neu5acα-gal
sialic acid
sialidase
Cell culture
Cellular structure
Chickens
Clostridium perfringens
Crystal structure
Cytology
Drug interaction
Embryo fibroblasts
Energy value
Enzymes
Fibroblasts
Genes
Glycoproteins
Ligands
Molecular docking
Monolayers
Morphology
Original
Pathogenesis
Plc gene
Proteins
Receptors
Similarity
Software
Viral infections
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Summary:This study aims to evaluate the effect of sialidase treatment on monolayer cell behavior using computational screening and an approach to demonstrate interaction between enzyme-based drugs and ligands in host cells. The study was carried out by molecular docking analysis used to predict the interactions between atoms that occur, followed by genetic characterization of sialidase from a wild isolate. Sialidase, which has undergone further production and purification processes exposed to chicken embryonic fibroblast cell culture, and observations-based structural morphology of cells compared between treated cells and normal cells without treatment. Based on an study, sialidase has an excellent binding affinity with Neu5Acα (2.3) Gal ligand receptor with Gibbs energy value (∆G)-7.35 kcal/mol and Ki value of 4.11 µM. Wild isolates in this study have 99.1%-100% similarity to the plc gene, NanH, and NanI genes, while NanJ shows 93.18% similarity compared to the reference isolate from GenBank. Sialidase at 750 and 150 mU may impact the viability, cell count, and cell behavior structure of fibroblast cells by significantly increasing the empty area and perimeter of chicken embryo fibroblast (CEF) cells, while at 30 mU sialidase shows no significant difference compared with mock control. Sialidase-derived has the capacity to compete with viral molecules for attachment to host sialic acid based on analysis. However, sialidase treatment has an impact on monolayer cell fibroblasts given exposure to high doses.
ISSN:2311-7710
2311-7710
DOI:10.5455/javar.2023.j722