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Sondeo de tautómeros de histidina mediante espectroscopia teórica de absorción de rayos X para estudios biológicos y

Hyundong Kim¹, Sompriya Chatterjee^1,2, Myounwoo Kim¹

¹Department of Chemistry, Sungkyunkwan University, Suwon 16419, Korea. jinylee@skku.edu.

Physical chemistry chemical physics : PCCP

|February 19, 2026

Resumen

La distinción de los estados tautoméricos de la histidina mediante espectroscopia de absorción de rayos X (XAS) es crucial para comprender las enfermedades neurodegenerativas. La funcionalización de la histidina mejora las diferencias espectrales, lo que ayuda a identificar el plegamiento incorrecto de proteínas relacionado con la enfermedad y a informar las estrategias terapéuticas.

Conclusiones:

La espectroscopia de absorción de rayos X (XAS) es un método viable para distinguir los estados tautoméricos de la histidina.
La funcionalización de la histidina mejora la identificación de tautómeros basada en XAS.
El etiquetado XAS ofrece una herramienta prometedora para estudiar la histidina en sistemas biológicos y enfermedades.

Palabras clave:

espectroscopia de absorción de rayos X histidina tautómeros enfermedades neurodegenerativas plegamiento de proteínas química computacional

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