Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer
Background: GP63, also known as Leishmanolysin, is a multifunctional virulence factor abundant on the surface of Leishmania spp. small peptides with anticancer capabilities that are selective and toxic to cancer cells are known as anticancer peptides. We aimed to demonstrate the activity of GP63 and...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-01-01
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| Series: | Journal of Pathology Informatics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2153353923000044 |
| _version_ | 1797948237208879104 |
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| author | Fatemeh Sharifi Iraj Sharifi Zahra Babaei Sodabeh Alahdin Ali Afgar |
| author_facet | Fatemeh Sharifi Iraj Sharifi Zahra Babaei Sodabeh Alahdin Ali Afgar |
| author_sort | Fatemeh Sharifi |
| collection | DOAJ |
| description | Background: GP63, also known as Leishmanolysin, is a multifunctional virulence factor abundant on the surface of Leishmania spp. small peptides with anticancer capabilities that are selective and toxic to cancer cells are known as anticancer peptides. We aimed to demonstrate the activity of GP63 and its anticancer properties on melanoma using a range of in silico tools and screening methods to identify predicted and designed anticancer peptides. Methods: Various in silico modeling methodologies are used to establish the three-dimensional (3D) structure of GP63. Refinement and re-evaluation of the modeled structures and the built models' quality evaluated using the different docking used to find the interacting amino acids between MMP2 and GP63 and its anticancer peptides. AntiCP2.0 is used for screening anticancer peptides. 2D interaction plots of protein–ligand complexes evaluated by Protein–Ligand Interaction Profiler server. It is for the first time that used anticancer peptides of GP63 and the predicted and designed peptides. Results: We used 3 peptides of GP63 based on the AntiCP 2.0 server with scores of 0.63, 0.53, and 0.49, and common peptides of GP63/MMP2 (continues peptide: mean the completely selected peptide after docking with non-anticancer effect, predicted with 0.58 score and designed peptides with 0.47 and 0.45 scores by AntiCP 2.0 server). Conclusions: The antileishmanial and anticancer peptide research topics exemplify the multidisciplinary nature of peptide research. The advancement of therapeutics targeting cancer and/or Leishmania requires an interconnected research strategy shown in this work. |
| first_indexed | 2024-04-10T21:40:11Z |
| format | Article |
| id | doaj.art-4dc73b29f2054425b950264af830210f |
| institution | Directory Open Access Journal |
| issn | 2153-3539 |
| language | English |
| last_indexed | 2024-04-10T21:40:11Z |
| publishDate | 2023-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Pathology Informatics |
| spelling | doaj.art-4dc73b29f2054425b950264af830210f2023-01-19T04:16:52ZengElsevierJournal of Pathology Informatics2153-35392023-01-0114100190Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancerFatemeh Sharifi0Iraj Sharifi1Zahra Babaei2Sodabeh Alahdin3Ali Afgar4Research Center of Tropical and Infectious Diseases, Kerman University of Medical Sciences, Kerman, IranLeishmaniasis Research Center, Kerman University of Medical Sciences, Kerman, IranLeishmaniasis Research Center, Kerman University of Medical Sciences, Kerman, IranLeishmaniasis Research Center, Kerman University of Medical Sciences, Kerman, Iran; Student Research Committee, Kerman University of Medical Sciences, Kerman, IranResearch Center for Hydatid Disease in Iran, Kerman University of Medical Sciences, Kerman, Iran; Corresponding author.Background: GP63, also known as Leishmanolysin, is a multifunctional virulence factor abundant on the surface of Leishmania spp. small peptides with anticancer capabilities that are selective and toxic to cancer cells are known as anticancer peptides. We aimed to demonstrate the activity of GP63 and its anticancer properties on melanoma using a range of in silico tools and screening methods to identify predicted and designed anticancer peptides. Methods: Various in silico modeling methodologies are used to establish the three-dimensional (3D) structure of GP63. Refinement and re-evaluation of the modeled structures and the built models' quality evaluated using the different docking used to find the interacting amino acids between MMP2 and GP63 and its anticancer peptides. AntiCP2.0 is used for screening anticancer peptides. 2D interaction plots of protein–ligand complexes evaluated by Protein–Ligand Interaction Profiler server. It is for the first time that used anticancer peptides of GP63 and the predicted and designed peptides. Results: We used 3 peptides of GP63 based on the AntiCP 2.0 server with scores of 0.63, 0.53, and 0.49, and common peptides of GP63/MMP2 (continues peptide: mean the completely selected peptide after docking with non-anticancer effect, predicted with 0.58 score and designed peptides with 0.47 and 0.45 scores by AntiCP 2.0 server). Conclusions: The antileishmanial and anticancer peptide research topics exemplify the multidisciplinary nature of peptide research. The advancement of therapeutics targeting cancer and/or Leishmania requires an interconnected research strategy shown in this work.http://www.sciencedirect.com/science/article/pii/S2153353923000044LeishmanolysinMatrix metalloproteasesLeishmaniaIn silicoAnticancerPeptide |
| spellingShingle | Fatemeh Sharifi Iraj Sharifi Zahra Babaei Sodabeh Alahdin Ali Afgar Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer Journal of Pathology Informatics Leishmanolysin Matrix metalloproteases Leishmania In silico Anticancer Peptide |
| title | Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer |
| title_full | Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer |
| title_fullStr | Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer |
| title_full_unstemmed | Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer |
| title_short | Bioinformatics evaluation of anticancer properties of GP63 protein-derived peptides on MMP2 protein of melanoma cancer |
| title_sort | bioinformatics evaluation of anticancer properties of gp63 protein derived peptides on mmp2 protein of melanoma cancer |
| topic | Leishmanolysin Matrix metalloproteases Leishmania In silico Anticancer Peptide |
| url | http://www.sciencedirect.com/science/article/pii/S2153353923000044 |
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