In this work, we present the potential of Fourier transform infrared (FTIR) microspectroscopy to compare on whole cells, in an unbiased and untargeted way, the capacity of bacterial lipopolysaccharide (LPS) and two rationally designed molecules (FP20 and FP20Rha) to activate molecular circuits of innate immunity. These compounds are important drug hits in the development of vaccine adjuvants and tumor immunotherapeutics. The biological assays indicated that FP20Rha was more potent than FP20 in inducing cytokine production in cells and in stimulating IgG antibody production post-vaccination in mice. Accordingly, the overall significant IR spectral changes induced by the treatment with LPS and FP20Rha were similar, lipids and glycans signals being the most diagnostic, while the effect of the less potent molecule FP20 on cells resulted to be closer to control untreated cells. We propose here the use of FTIR spectroscopy supported by artificial intelligence (AI) to achieve a more holistic understanding of the cell response to new drug candidates while screening them in cells.

Ami, D., Franco, A., Artusa, V., Romerio, A., Shaik, M., Italia, A., et al. (2024). Vibrational spectroscopy coupled with machine learning sheds light on the cellular effects induced by rationally designed TLR4 agonists. TALANTA, 275(1 August 2024) [10.1016/j.talanta.2024.126104].

Vibrational spectroscopy coupled with machine learning sheds light on the cellular effects induced by rationally designed TLR4 agonists

Ami D.
Co-primo
;
Franco A. R.
Co-primo
;
Artusa V.;Romerio A.;Shaik M. M.;Italia A.;Peri F.
Co-ultimo
;
Natalello A.
Co-ultimo
2024

Abstract

In this work, we present the potential of Fourier transform infrared (FTIR) microspectroscopy to compare on whole cells, in an unbiased and untargeted way, the capacity of bacterial lipopolysaccharide (LPS) and two rationally designed molecules (FP20 and FP20Rha) to activate molecular circuits of innate immunity. These compounds are important drug hits in the development of vaccine adjuvants and tumor immunotherapeutics. The biological assays indicated that FP20Rha was more potent than FP20 in inducing cytokine production in cells and in stimulating IgG antibody production post-vaccination in mice. Accordingly, the overall significant IR spectral changes induced by the treatment with LPS and FP20Rha were similar, lipids and glycans signals being the most diagnostic, while the effect of the less potent molecule FP20 on cells resulted to be closer to control untreated cells. We propose here the use of FTIR spectroscopy supported by artificial intelligence (AI) to achieve a more holistic understanding of the cell response to new drug candidates while screening them in cells.
Articolo in rivista - Articolo scientifico
FTIR microspectroscopy; Lipopolysaccharide; Multivariate analysis; Spectroscopic fingerprint; TLR4 agonists;
English
17-apr-2024
2024
275
1 August 2024
126104
open
Ami, D., Franco, A., Artusa, V., Romerio, A., Shaik, M., Italia, A., et al. (2024). Vibrational spectroscopy coupled with machine learning sheds light on the cellular effects induced by rationally designed TLR4 agonists. TALANTA, 275(1 August 2024) [10.1016/j.talanta.2024.126104].
File in questo prodotto:
File Dimensione Formato  
Ami-2024-Talanta-VoR.pdf

accesso aperto

Tipologia di allegato: Publisher’s Version (Version of Record, VoR)
Licenza: Creative Commons
Dimensione 5.53 MB
Formato Adobe PDF
5.53 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/477022
Citazioni
  • Scopus 0
  • ???jsp.display-item.citation.isi??? ND
Social impact