Identification of afzelin potential targets in inhibiting triple-negative breast cancer cell migration using reverse docking
Copyright © 2020 The Authors. Published by Wolters Kluwer Health, Inc. on behalf of PBJ-Associação Porto Biomedical/Porto Biomedical Society. All rights reserved..
BACKGROUND: Triple-negative breast cancer (TNBC) tends to be aggressive and metastatic, characteristics attributable to its cellular migration capabilities. Afzelin is a chemical compound with anti-metastatic potentials. This study aimed to predict proteins involved in TNBC cell migration which could be inhibited by afzelin.
METHODS: The protein database was constructed from the Kyoto Encyclopedia of Genes and Genomes pathways collection which related to cell motility, then screened for druggability using SuperTarget and Therapeutic Target Database. The involvement of druggable proteins in the TNBC metastasis process was investigated through existing publications in The National Center for Biotechnology Information PubMed database. Inhibitory potential of afzelin toward target proteins was compared to the proteins' known-inhibitor, using the reverse docking method.
RESULTS: Ten proteins identified as potential targets of afzelin, with the top 3 being ERK2, KRas, and FAK, respectively. Afzelin's 3-O-rhamnoside group played a dominant role in forming hydrogen bonds with the target proteins. Further analysis with STRING suggested that afzelin might be able to inhibit chemotaxis and haptotaxis of TNBC cells.
CONCLUSIONS: Afzelin was predicted to inhibit TNBC cell motility, by targeting ERK2, KRas, and FAK activation.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2020 |
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| Erschienen: |
2020 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:5 |
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| Enthalten in: |
Porto biomedical journal - 5(2020), 6 vom: 10. Nov., Seite e095 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Rachmi, Eva [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Revised 10.11.2023 published: Electronic-eCollection Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1097/j.pbj.0000000000000095 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM318489457 |
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| 520 | |a Copyright © 2020 The Authors. Published by Wolters Kluwer Health, Inc. on behalf of PBJ-Associação Porto Biomedical/Porto Biomedical Society. All rights reserved. | ||
| 520 | |a BACKGROUND: Triple-negative breast cancer (TNBC) tends to be aggressive and metastatic, characteristics attributable to its cellular migration capabilities. Afzelin is a chemical compound with anti-metastatic potentials. This study aimed to predict proteins involved in TNBC cell migration which could be inhibited by afzelin | ||
| 520 | |a METHODS: The protein database was constructed from the Kyoto Encyclopedia of Genes and Genomes pathways collection which related to cell motility, then screened for druggability using SuperTarget and Therapeutic Target Database. The involvement of druggable proteins in the TNBC metastasis process was investigated through existing publications in The National Center for Biotechnology Information PubMed database. Inhibitory potential of afzelin toward target proteins was compared to the proteins' known-inhibitor, using the reverse docking method | ||
| 520 | |a RESULTS: Ten proteins identified as potential targets of afzelin, with the top 3 being ERK2, KRas, and FAK, respectively. Afzelin's 3-O-rhamnoside group played a dominant role in forming hydrogen bonds with the target proteins. Further analysis with STRING suggested that afzelin might be able to inhibit chemotaxis and haptotaxis of TNBC cells | ||
| 520 | |a CONCLUSIONS: Afzelin was predicted to inhibit TNBC cell motility, by targeting ERK2, KRas, and FAK activation | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a TNBC | |
| 650 | 4 | |a afzelin | |
| 650 | 4 | |a cell migration | |
| 650 | 4 | |a reverse docking | |
| 700 | 1 | |a Purnomo, Basuki Bambang |e verfasserin |4 aut | |
| 700 | 1 | |a Endharti, Agustina Tri |e verfasserin |4 aut | |
| 700 | 1 | |a Fitri, Loeki Enggar |e verfasserin |4 aut | |
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