Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches
Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecul...
Ausführliche Beschreibung
Autor*in: |
Aqsa Kanwal [verfasserIn] Farrukh Azeem [verfasserIn] Habibullah Nadeem [verfasserIn] Usman Ali Ashfaq [verfasserIn] Rana Muhammad Aadil [verfasserIn] A. K. M. Humayun Kober [verfasserIn] Muhammad Shahid Riaz Rajoka [verfasserIn] Ijaz Rasul [verfasserIn] |
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E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2022 |
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Übergeordnetes Werk: |
In: Pharmaceutics - MDPI AG, 2010, 14(2022), 9, p 1970 |
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Übergeordnetes Werk: |
volume:14 ; year:2022 ; number:9, p 1970 |
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DOI / URN: |
10.3390/pharmaceutics14091970 |
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Katalog-ID: |
DOAJ005586127 |
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520 | |a Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. | ||
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10.3390/pharmaceutics14091970 doi (DE-627)DOAJ005586127 (DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13 DE-627 ger DE-627 rakwb eng RS1-441 Aqsa Kanwal verfasserin aut Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. epithelial ovarian cancer <i<Cassia fistula</i< anticarcinogenic network pharmacology active constituents gene ontology Pharmacy and materia medica Farrukh Azeem verfasserin aut Habibullah Nadeem verfasserin aut Usman Ali Ashfaq verfasserin aut Rana Muhammad Aadil verfasserin aut A. K. M. Humayun Kober verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Ijaz Rasul verfasserin aut In Pharmaceutics MDPI AG, 2010 14(2022), 9, p 1970 (DE-627)614096529 (DE-600)2527217-2 19994923 nnns volume:14 year:2022 number:9, p 1970 https://doi.org/10.3390/pharmaceutics14091970 kostenfrei https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 kostenfrei https://www.mdpi.com/1999-4923/14/9/1970 kostenfrei https://doaj.org/toc/1999-4923 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 14 2022 9, p 1970 |
spelling |
10.3390/pharmaceutics14091970 doi (DE-627)DOAJ005586127 (DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13 DE-627 ger DE-627 rakwb eng RS1-441 Aqsa Kanwal verfasserin aut Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. epithelial ovarian cancer <i<Cassia fistula</i< anticarcinogenic network pharmacology active constituents gene ontology Pharmacy and materia medica Farrukh Azeem verfasserin aut Habibullah Nadeem verfasserin aut Usman Ali Ashfaq verfasserin aut Rana Muhammad Aadil verfasserin aut A. K. M. Humayun Kober verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Ijaz Rasul verfasserin aut In Pharmaceutics MDPI AG, 2010 14(2022), 9, p 1970 (DE-627)614096529 (DE-600)2527217-2 19994923 nnns volume:14 year:2022 number:9, p 1970 https://doi.org/10.3390/pharmaceutics14091970 kostenfrei https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 kostenfrei https://www.mdpi.com/1999-4923/14/9/1970 kostenfrei https://doaj.org/toc/1999-4923 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 14 2022 9, p 1970 |
allfields_unstemmed |
10.3390/pharmaceutics14091970 doi (DE-627)DOAJ005586127 (DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13 DE-627 ger DE-627 rakwb eng RS1-441 Aqsa Kanwal verfasserin aut Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. epithelial ovarian cancer <i<Cassia fistula</i< anticarcinogenic network pharmacology active constituents gene ontology Pharmacy and materia medica Farrukh Azeem verfasserin aut Habibullah Nadeem verfasserin aut Usman Ali Ashfaq verfasserin aut Rana Muhammad Aadil verfasserin aut A. K. M. Humayun Kober verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Ijaz Rasul verfasserin aut In Pharmaceutics MDPI AG, 2010 14(2022), 9, p 1970 (DE-627)614096529 (DE-600)2527217-2 19994923 nnns volume:14 year:2022 number:9, p 1970 https://doi.org/10.3390/pharmaceutics14091970 kostenfrei https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 kostenfrei https://www.mdpi.com/1999-4923/14/9/1970 kostenfrei https://doaj.org/toc/1999-4923 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 14 2022 9, p 1970 |
allfieldsGer |
10.3390/pharmaceutics14091970 doi (DE-627)DOAJ005586127 (DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13 DE-627 ger DE-627 rakwb eng RS1-441 Aqsa Kanwal verfasserin aut Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. epithelial ovarian cancer <i<Cassia fistula</i< anticarcinogenic network pharmacology active constituents gene ontology Pharmacy and materia medica Farrukh Azeem verfasserin aut Habibullah Nadeem verfasserin aut Usman Ali Ashfaq verfasserin aut Rana Muhammad Aadil verfasserin aut A. K. M. Humayun Kober verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Ijaz Rasul verfasserin aut In Pharmaceutics MDPI AG, 2010 14(2022), 9, p 1970 (DE-627)614096529 (DE-600)2527217-2 19994923 nnns volume:14 year:2022 number:9, p 1970 https://doi.org/10.3390/pharmaceutics14091970 kostenfrei https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 kostenfrei https://www.mdpi.com/1999-4923/14/9/1970 kostenfrei https://doaj.org/toc/1999-4923 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 14 2022 9, p 1970 |
allfieldsSound |
10.3390/pharmaceutics14091970 doi (DE-627)DOAJ005586127 (DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13 DE-627 ger DE-627 rakwb eng RS1-441 Aqsa Kanwal verfasserin aut Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. epithelial ovarian cancer <i<Cassia fistula</i< anticarcinogenic network pharmacology active constituents gene ontology Pharmacy and materia medica Farrukh Azeem verfasserin aut Habibullah Nadeem verfasserin aut Usman Ali Ashfaq verfasserin aut Rana Muhammad Aadil verfasserin aut A. K. M. Humayun Kober verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Ijaz Rasul verfasserin aut In Pharmaceutics MDPI AG, 2010 14(2022), 9, p 1970 (DE-627)614096529 (DE-600)2527217-2 19994923 nnns volume:14 year:2022 number:9, p 1970 https://doi.org/10.3390/pharmaceutics14091970 kostenfrei https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 kostenfrei https://www.mdpi.com/1999-4923/14/9/1970 kostenfrei https://doaj.org/toc/1999-4923 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2005 GBV_ILN_2009 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2055 GBV_ILN_2111 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 14 2022 9, p 1970 |
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Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches |
abstract |
Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. |
abstractGer |
Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. |
abstract_unstemmed |
Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. More pharmacological and clinical research is required for the development of a drug to treat EOC. |
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Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches |
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https://doi.org/10.3390/pharmaceutics14091970 https://doaj.org/article/1289eb6b2cad489ab966b57c80e8ef13 https://www.mdpi.com/1999-4923/14/9/1970 https://doaj.org/toc/1999-4923 |
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author2 |
Farrukh Azeem Habibullah Nadeem Usman Ali Ashfaq Rana Muhammad Aadil A. K. M. Humayun Kober Muhammad Shahid Riaz Rajoka Ijaz Rasul |
author2Str |
Farrukh Azeem Habibullah Nadeem Usman Ali Ashfaq Rana Muhammad Aadil A. K. M. Humayun Kober Muhammad Shahid Riaz Rajoka Ijaz Rasul |
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614096529 |
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RS - Pharmacy |
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doi_str |
10.3390/pharmaceutics14091970 |
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RS1-441 |
up_date |
2024-07-03T15:54:54.600Z |
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<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">DOAJ005586127</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20240414192421.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">230225s2022 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.3390/pharmaceutics14091970</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)DOAJ005586127</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)DOAJ1289eb6b2cad489ab966b57c80e8ef13</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">RS1-441</subfield></datafield><datafield tag="100" ind1="0" ind2=" "><subfield code="a">Aqsa Kanwal</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Molecular Mechanisms of <i<Cassia fistula</i< against Epithelial Ovarian Cancer Using Network Pharmacology and Molecular Docking Approaches</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Epithelial ovarian cancer (EOC) is one of the deadliest reproductive tract malignancies that form on the external tissue covering of an ovary. <i<Cassia fistula</i< is popular for its anti-inflammatory and anticarcinogenic properties in conventional medications. Nevertheless, its molecular mechanisms are still unclear. The current study evaluated the potential of <i<C. fistula</i< for the treatment of EOC using network pharmacology approach integrated with molecular docking. Eight active constituents of <i<C. fistula</i< were obtained from two independent databases and the literature, and their targets were retrieved from the SwissTargetPrediction. In total, 1077 EOC associated genes were retrieved from DisGeNET and GeneCardsSuite databases, and 800 potential targets of eight active constituents of <i<C. fistula</i< were mapped to the 1077 EOC targets and intersected targets from two databases. Ultimately, 98 potential targets were found from <i<C. fistula</i< for EOC. Finally, the protein–protein interaction network (PPI) topological interpretation revealed AKT1, CTNNB1, ESR1, and CASP3 as key targets. This is the first time four genes have been found against EOC from <i<C. fistula</i<. The major enriched pathways of these candidate genes were established by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) investigations. To confirm the network pharmacology findings, the molecular docking approach demonstrated that active molecules have higher affinity for binding to putative targets for EOC suppression. 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