Bioaffinity Mass Spectrometry Screening

Yang, Ben; Feng, Yunjiang; Vu, Hoan; McCormick, B. P.; Rowley, Jessica; Pedro, Liliana; Crowther, Gregory J.; Voorhis, Wesley C. Van; Forster, Paul I.; Quinn, Ronald J.

doi:10.1177/1087057115622605

Cited by 20 publications

(17 citation statements)

References 16 publications

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“…Many advances have been made in the development of the BA‐MS method facilitating the identification of bioactive compounds from natural products (Potterat & Hamburger, 2013; Otvos et al, 2019). Yang et al (2016) employed electrospray ionization Fourier transform ion cyclotron resonance MS (ESI‐FT‐ICR‐MS) to screen extracts from Australian plants against a malaria target Plasmodium falciparum deoxyuridine 5′‐triphosphate nucleotidohydrolase. Notably, the screening time is short (6 hr for 192 natural product extracts and a library of 659 fragment‐sized natural products) and the consumed protein is <1 mg.…”

Section: Direct Ba‐ms Methodsmentioning

confidence: 99%

Label‐free Bio‐affinity Mass Spectrometry for Screening and Locating Bioactive Molecules

Tao

Yan

Cai

2019

Mass Spectrometry Reviews

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Despite the recent increase in the development of bioactive molecules in the drug industry, the enormous chemical space and lack of productivity are still important issues. Additional alternative approaches to screen and locate bioactive molecules are urgently needed. Label‐free bio‐affinity mass spectrometry (BA‐MS) provides opportunities for the discovery and development of innovative drugs. This review provides a comprehensive portrayal of BA‐MS techniques and of their applications in screening and locating bioactive molecules. After introducing the basic principles, alongside some application notes, the current state‐of‐the‐art of BA‐MS‐assisted drug discovery is discussed, including native MS, size‐exclusion chromatography‐MS, ultrafiltration‐MS, solid‐phase micro‐extraction‐MS, and cell membrane chromatography‐MS. Finally, several challenges and limitations of the current methods are summarized, with a view to potential future directions for BA‐MS‐assisted drug discovery. © 2019 John Wiley & Sons Ltd. Mass Spec Rev

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Section: Direct Ba‐ms Methodsmentioning

confidence: 99%

Label‐free Bio‐affinity Mass Spectrometry for Screening and Locating Bioactive Molecules

Tao

Yan

Cai

2019

Mass Spectrometry Reviews

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“… 73 While Yang et al successfully applied this technique for the identification of an anti-malarial agent out of natural products extracts, access to and application of this technique have been so far limited. 76 Despite its tremendous potential in molecular target-directed natural product discovery, native protein MS therefore remains a niche research field. Increased access to hrMS platforms may encourage further spread of this technique in the field of natural product research.…”

Section: Targeted Metabolomics Approaches Based On Known Molecular Targets As Prioritization Toolsmentioning

confidence: 99%

Synergizing the potential of bacterial genomics and metabolomics to find novel antibiotics

2021

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“…Identification of altholactone was confirmed by the observation of the same mass spectrum using isolated pure altholactone and Rv1466 ( Figure 3C). Electrospray ionization-mass spectrometry (ESI-MS) has proven to be a useful tool for determining dissociation constants (Kd ) for a variety of biological noncovalent complexes [26,27]. For covalent binders, a pseudo-Kd can be determined.…”

Section: Mycobacteria Strains Micmentioning

confidence: 99%

Discovery of a Natural Product That Binds to the Mycobacterium tuberculosis Protein Rv1466 Using Native Mass Spectrometry

et al. 2020

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Elucidation of the mechanism of action of compounds with cellular bioactivity is important for progressing compounds into future drug development. In recent years, phenotype-based drug discovery has become the dominant approach to drug discovery over target-based drug discovery, which relies on the knowledge of a specific drug target of a disease. Still, when targeting an infectious disease via a high throughput phenotypic assay it is highly advantageous to identifying the compound’s cellular activity. A fraction derived from the plant Polyalthia sp. showed activity against Mycobacterium tuberculosis at 62.5 μge/μL. A known compound, altholactone, was identified from this fraction that showed activity towards M. tuberculosis at an minimum inhibitory concentration (MIC) of 64 μM. Retrospective analysis of a target-based screen against a TB proteome panel using native mass spectrometry established that the active fraction was bound to the mycobacterial protein Rv1466 with an estimated pseudo-Kd of 42.0 ± 6.1 µM. Our findings established Rv1466 as the potential molecular target of altholactone, which is responsible for the observed in vivo toxicity towards M. tuberculosis.

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Bioaffinity Mass Spectrometry Screening

Cited by 20 publications

References 16 publications

Label‐free Bio‐affinity Mass Spectrometry for Screening and Locating Bioactive Molecules

Label‐free Bio‐affinity Mass Spectrometry for Screening and Locating Bioactive Molecules

Synergizing the potential of bacterial genomics and metabolomics to find novel antibiotics

Discovery of a Natural Product That Binds to the Mycobacterium tuberculosis Protein Rv1466 Using Native Mass Spectrometry

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