Work

Development of a room temperature phosphorescence methodology to evaluate the interaction of AI-designed peptides with the tumor biomarker 5-hydroxyindoleacetic acid

Year: 2025

Type: article

Abstract: Early detection of neuroendocrine tumors (NETs) is crucial for early and effective intervention, thus reducing the likelihood of tumor progression and metastasis. These tumors have been thoroughly investigated and associated with an excessive secretion of the biomarker 5-hydroxyindoleacetic acid (5HIAA). Although, HPLC is the most commonly used method for 5HIAA detection, spectroscopic alternatives show interesting advantages such as much shorter analysis times, inexpensiveness, as well as the lack of necessity of environmentally harmful solvents. In this work, we propose a double approach to 5HIAA identification: from one side, we used Artificial Intelligence-assisted design to synthesize pentapetides with high affinity toward 5HIAA. On the other hand, we propose a room temperature phosphorescence methodology (RTP) as a detection technique, to take advantage of its delayed light emission, which effectively suppresses interference from the intrinsic fluorescence present in biological samples. Following optimization, it was determined that the concentrations of Na₂SO₃ and KI are critical parameters for the phosphorescent emission of 5HIAA, as well as maintaining a pH value above the pKa of the biomarker. Additionally, this novel methodology was used to evaluate the interaction of the AI-assisted peptides with 5-HIAA. These studies revealed the formation of 1:1 and 1:2 stoichiometric complexes, with these results being consistent with the computational predictions. The developed AI-assisted peptides, combined with RTP detection, demonstrate promising potential as selective sensing phases for 5HIAA, allowing for sensitive and interference-minimized detection, which may support earlier diagnosis of neuroendocrine tumors.

Source: Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI: 10.1016/j.saa.2025.127108

Authors: Sandra Rodríguez-Varillas, Alfonso Fernández-González, Josep-Ramon Codina, Sapna Deo, Rosana Badía Laíño, Sylvia Daunert

Institutions: Universidad de Oviedo, University of Miami

Language: English

Topic: Luminescence and Fluorescent Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: hybrid

Estimated APC paid: $3,750