Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking
Affinity selection-mass spectrometry (AS-MS) is a label-free binding assay system that uses UHPLC-MS size-based separation methods to separate target-compound complexes from unbound compounds, identify bound compounds, classify compound binding sites, quantify the dissociation rate constant of compo...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-09-01
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| Series: | Metabolites |
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| Online Access: | https://www.mdpi.com/2218-1989/12/9/863 |
| _version_ | 1797484882469847040 |
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| author | Thabo Ramatapa Anathi Msobo Pfano W. Maphari Efficient N. Ncube Noluyolo Nogemane Msizi I. Mhlongo |
| author_facet | Thabo Ramatapa Anathi Msobo Pfano W. Maphari Efficient N. Ncube Noluyolo Nogemane Msizi I. Mhlongo |
| author_sort | Thabo Ramatapa |
| collection | DOAJ |
| description | Affinity selection-mass spectrometry (AS-MS) is a label-free binding assay system that uses UHPLC-MS size-based separation methods to separate target-compound complexes from unbound compounds, identify bound compounds, classify compound binding sites, quantify the dissociation rate constant of compounds, and characterize affinity-extracted ligands. This label-free binding assay, in contrast to conventional biochemical (i.e., high-throughput screening (HTS)) approaches, is applicable to any drug target, and is also concise, accurate, and adaptable. Although AS-MS is an innovative approach for identifying lead compounds, the possibilities of finding bioactive compounds are limited by competitive binding, which occurs during the equilibration of extracts with the target protein(s). Here, we discuss the potential for metabolite profiling complemented with molecular networking to be used alongside AS-MS to improve the identification of bioactive compounds in plant extracts. AS-MS has gained significant prominence in HTS labs and shows potential to emerge as the driving force behind novel drug development in the future. |
| first_indexed | 2024-03-09T23:10:54Z |
| format | Article |
| id | doaj.art-947a805480844a0e99682bf3d763fc24 |
| institution | Directory Open Access Journal |
| issn | 2218-1989 |
| language | English |
| last_indexed | 2024-03-09T23:10:54Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Metabolites |
| spelling | doaj.art-947a805480844a0e99682bf3d763fc242023-11-23T17:45:01ZengMDPI AGMetabolites2218-19892022-09-0112986310.3390/metabo12090863Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular NetworkingThabo Ramatapa0Anathi Msobo1Pfano W. Maphari2Efficient N. Ncube3Noluyolo Nogemane4Msizi I. Mhlongo5Research Centre for Plant Metabolomics, Department of Biochemistry, University of Johannesburg, P.O. Box 524, Auckland Park, Johannesburg 2006, South AfricaResearch Centre for Plant Metabolomics, Department of Biochemistry, University of Johannesburg, P.O. Box 524, Auckland Park, Johannesburg 2006, South AfricaResearch Centre for Plant Metabolomics, Department of Biochemistry, University of Johannesburg, P.O. Box 524, Auckland Park, Johannesburg 2006, South AfricaDepartment of Agriculture and Animal Health, Florida Campus, University of South Africa, Florida 1710, South AfricaDepartment of Agriculture and Animal Health, Florida Campus, University of South Africa, Florida 1710, South AfricaResearch Centre for Plant Metabolomics, Department of Biochemistry, University of Johannesburg, P.O. Box 524, Auckland Park, Johannesburg 2006, South AfricaAffinity selection-mass spectrometry (AS-MS) is a label-free binding assay system that uses UHPLC-MS size-based separation methods to separate target-compound complexes from unbound compounds, identify bound compounds, classify compound binding sites, quantify the dissociation rate constant of compounds, and characterize affinity-extracted ligands. This label-free binding assay, in contrast to conventional biochemical (i.e., high-throughput screening (HTS)) approaches, is applicable to any drug target, and is also concise, accurate, and adaptable. Although AS-MS is an innovative approach for identifying lead compounds, the possibilities of finding bioactive compounds are limited by competitive binding, which occurs during the equilibration of extracts with the target protein(s). Here, we discuss the potential for metabolite profiling complemented with molecular networking to be used alongside AS-MS to improve the identification of bioactive compounds in plant extracts. AS-MS has gained significant prominence in HTS labs and shows potential to emerge as the driving force behind novel drug development in the future.https://www.mdpi.com/2218-1989/12/9/863affinity selection-mass spectrometrydrug discoveryhigh-throughput screeningligandsnatural productsvirtual screening |
| spellingShingle | Thabo Ramatapa Anathi Msobo Pfano W. Maphari Efficient N. Ncube Noluyolo Nogemane Msizi I. Mhlongo Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking Metabolites affinity selection-mass spectrometry drug discovery high-throughput screening ligands natural products virtual screening |
| title | Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking |
| title_full | Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking |
| title_fullStr | Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking |
| title_full_unstemmed | Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking |
| title_short | Identification of Plant-Derived Bioactive Compounds Using Affinity Mass Spectrometry and Molecular Networking |
| title_sort | identification of plant derived bioactive compounds using affinity mass spectrometry and molecular networking |
| topic | affinity selection-mass spectrometry drug discovery high-throughput screening ligands natural products virtual screening |
| url | https://www.mdpi.com/2218-1989/12/9/863 |
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