Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis

Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine a...
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Gespeichert in:

Autor*in:	Sana Tabassum [verfasserIn] Hafiz Rameez Khalid [verfasserIn] Waqar ul Haq [verfasserIn] Sidra Aslam [verfasserIn] Abdulrahman Alshammari [verfasserIn] Metab Alharbi [verfasserIn] Muhammad Shahid Riaz Rajoka [verfasserIn] Mohsin Khurshid [verfasserIn] Usman Ali Ashfaq [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	tuberculosis network pharmacology

Übergeordnetes Werk:	In: Processes - MDPI AG, 2013, 10(2022), 298, p 298
Übergeordnetes Werk:	volume:10 ; year:2022 ; number:298, p 298

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/pr10020298

Katalog-ID:	DOAJ085597260

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spelling	10.3390/pr10020298 doi (DE-627)DOAJ085597260 (DE-599)DOAJf00f0251980d46f4b01ed2143bc24b2c DE-627 ger DE-627 rakwb eng TP1-1185 QD1-999 Sana Tabassum verfasserin aut Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB. <i<Ocimum sanctum</i< tuberculosis network pharmacology Chemical technology Chemistry Hafiz Rameez Khalid verfasserin aut Waqar ul Haq verfasserin aut Sidra Aslam verfasserin aut Abdulrahman Alshammari verfasserin aut Metab Alharbi verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Mohsin Khurshid verfasserin aut Usman Ali Ashfaq verfasserin aut In Processes MDPI AG, 2013 10(2022), 298, p 298 (DE-627)750371439 (DE-600)2720994-5 22279717 nnns volume:10 year:2022 number:298, p 298 https://doi.org/10.3390/pr10020298 kostenfrei https://doaj.org/article/f00f0251980d46f4b01ed2143bc24b2c kostenfrei https://www.mdpi.com/2227-9717/10/2/298 kostenfrei https://doaj.org/toc/2227-9717 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_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 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_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 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 10 2022 298, p 298
allfields_unstemmed	10.3390/pr10020298 doi (DE-627)DOAJ085597260 (DE-599)DOAJf00f0251980d46f4b01ed2143bc24b2c DE-627 ger DE-627 rakwb eng TP1-1185 QD1-999 Sana Tabassum verfasserin aut Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB. <i<Ocimum sanctum</i< tuberculosis network pharmacology Chemical technology Chemistry Hafiz Rameez Khalid verfasserin aut Waqar ul Haq verfasserin aut Sidra Aslam verfasserin aut Abdulrahman Alshammari verfasserin aut Metab Alharbi verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Mohsin Khurshid verfasserin aut Usman Ali Ashfaq verfasserin aut In Processes MDPI AG, 2013 10(2022), 298, p 298 (DE-627)750371439 (DE-600)2720994-5 22279717 nnns volume:10 year:2022 number:298, p 298 https://doi.org/10.3390/pr10020298 kostenfrei https://doaj.org/article/f00f0251980d46f4b01ed2143bc24b2c kostenfrei https://www.mdpi.com/2227-9717/10/2/298 kostenfrei https://doaj.org/toc/2227-9717 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_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 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_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 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 10 2022 298, p 298
allfieldsGer	10.3390/pr10020298 doi (DE-627)DOAJ085597260 (DE-599)DOAJf00f0251980d46f4b01ed2143bc24b2c DE-627 ger DE-627 rakwb eng TP1-1185 QD1-999 Sana Tabassum verfasserin aut Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB. <i<Ocimum sanctum</i< tuberculosis network pharmacology Chemical technology Chemistry Hafiz Rameez Khalid verfasserin aut Waqar ul Haq verfasserin aut Sidra Aslam verfasserin aut Abdulrahman Alshammari verfasserin aut Metab Alharbi verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Mohsin Khurshid verfasserin aut Usman Ali Ashfaq verfasserin aut In Processes MDPI AG, 2013 10(2022), 298, p 298 (DE-627)750371439 (DE-600)2720994-5 22279717 nnns volume:10 year:2022 number:298, p 298 https://doi.org/10.3390/pr10020298 kostenfrei https://doaj.org/article/f00f0251980d46f4b01ed2143bc24b2c kostenfrei https://www.mdpi.com/2227-9717/10/2/298 kostenfrei https://doaj.org/toc/2227-9717 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_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 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_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 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 10 2022 298, p 298
allfieldsSound	10.3390/pr10020298 doi (DE-627)DOAJ085597260 (DE-599)DOAJf00f0251980d46f4b01ed2143bc24b2c DE-627 ger DE-627 rakwb eng TP1-1185 QD1-999 Sana Tabassum verfasserin aut Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB. <i<Ocimum sanctum</i< tuberculosis network pharmacology Chemical technology Chemistry Hafiz Rameez Khalid verfasserin aut Waqar ul Haq verfasserin aut Sidra Aslam verfasserin aut Abdulrahman Alshammari verfasserin aut Metab Alharbi verfasserin aut Muhammad Shahid Riaz Rajoka verfasserin aut Mohsin Khurshid verfasserin aut Usman Ali Ashfaq verfasserin aut In Processes MDPI AG, 2013 10(2022), 298, p 298 (DE-627)750371439 (DE-600)2720994-5 22279717 nnns volume:10 year:2022 number:298, p 298 https://doi.org/10.3390/pr10020298 kostenfrei https://doaj.org/article/f00f0251980d46f4b01ed2143bc24b2c kostenfrei https://www.mdpi.com/2227-9717/10/2/298 kostenfrei https://doaj.org/toc/2227-9717 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_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 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_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_602 GBV_ILN_2014 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 10 2022 298, p 298
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callnumber-first	T - Technology
author	Sana Tabassum
spellingShingle	Sana Tabassum misc TP1-1185 misc QD1-999 misc <i<Ocimum sanctum</i< misc tuberculosis misc network pharmacology misc Chemical technology misc Chemistry Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
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topic	misc TP1-1185 misc QD1-999 misc <i<Ocimum sanctum</i< misc tuberculosis misc network pharmacology misc Chemical technology misc Chemistry
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title	Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
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title_full	Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
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title_sort	implementation of system pharmacology and molecular docking approaches to explore active compounds and mechanism of ocimum sanctum against tuberculosis
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title_auth	Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
abstract	Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB.
abstractGer	Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB.
abstract_unstemmed	Worldwide, Tuberculosis (TB) is caused by <i<Mycobacterium tuberculosis</i< bacteria. <i<Ocimum sanctum</i<, commonly known as holy basil (Tulsi), is an herbaceous perennial that belongs to the family Lamiaceae and is considered one of the most important sources of medicine and drugs for the treatment of various diseases. The presented study aims to discover the potential phenomenon of <i<Ocimum sanctum</i< in the medicament of tuberculosis using a network pharmacology approach. Active ingredients of <i<Ocimum sanctum</i< were fetched through two different databases and from literature review and then targets of these compounds were harvested by SwissTargetPrediction. Potential targets of TB were downloaded from GeneCards and DisGNet databases. After screening of mutual targets, enrichment analysis through DAVID was performed. Protein–protein interaction was performed using the String database and visualized by Cytoscape. Then the target-compound-pathway network was constructed with Cytoscape. In the end, molecular docking was performed to get the potential active ingredients against tuberculosis. Eight active ingredients with 776 potential therapeutic targets were obtained from <i<O. sanctum</i<, 632 intersected targets from two databases were found in TB, 72 common potential targets were found from TB and <i<O. sanctum</i<. The topological analysis exposes those ten targets that formed the core PPI network. Furthermore, molecular docking analysis reveals that active compounds have the greater binding ability with the potential target to suppress TB.
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title_short	Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis
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Implementation of System Pharmacology and Molecular Docking Approaches to Explore Active Compounds and Mechanism of Ocimum Sanctum against Tuberculosis

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