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RECURRENCIA: Identificación de sustituciones recurrentes de aminoácidos a partir de alineamientos de secuencias

Elizabeth H J Robbins¹, Yi Liu¹, Steven Kelly¹

¹Department of Biology, University of Oxford, South Parks Road, Oxford, OX1 3RB, United Kingdom.

Molecular biology and evolution

|February 11, 2026

Resumen

RECUR identifica las sustituciones recurrentes de aminoácidos en secuencias biológicas, cruciales para comprender la evolución y las enfermedades. Este método detecta con precisión la evolución recurrente generalizada en las proteínas del pico del SARS-CoV-2, particularmente en la interfaz hACE2.

Área de la Ciencia:

Biología evolutiva Biología evolutiva.
La genómica es la genómica.
Biología estructural Biología estructural.

Sus antecedentes:

Los cambios evolutivos recurrentes en las secuencias biológicas son vitales para comprender los fenotipos, la resistencia a los antibióticos y las enfermedades.
La identificación de estas sustituciones recurrentes ayuda a identificar las alteraciones genéticas causantes.

Objetivo del estudio:

Introducir RECUR, un nuevo método computacional para detectar sustituciones recurrentes de aminoácidos en grandes alineaciones de secuencias múltiples.
Evaluar la precisión y la robustez de RECUR utilizando datos biológicos simulados y del mundo real.

Principales métodos:

Desarrollo de RECUR, un algoritmo rápido, fácil de usar y escalable para identificar las sustituciones recurrentes de aminoácidos.
Validación de la precisión de RECUR (100%) en datos simulados y su robustez contra errores de inferencia de árbol.
Aplicación de RECUR para analizar las secuencias de proteínas de la glicoproteína (S) de superficie del SARS-CoV-2.

Principales resultados:

RECUR logró una precisión del 100% en la detección de sustituciones recurrentes en historias evolutivas simuladas.
Se identificó una evolución recurrente generalizada en las proteínas S del SARS-CoV-2, enriquecidas en la subunidad S1 y en la interfaz de unión hACE2.
Las sustituciones recurrentes se agotaron en la interfaz trímerica de la proteína S, con efectos de estabilidad variables en la interfaz hACE2.

Conclusiones:

RECUR es una herramienta altamente precisa y robusta para identificar eventos evolutivos recurrentes en secuencias biológicas.
La evolución recurrente en la proteína S del SARS-CoV-2, especialmente en la interfaz hACE2, sugiere un equilibrio entre la unión al receptor y la evasión inmune.
Los hallazgos destacan la utilidad de RECUR en el estudio de la evolución y adaptación viral.

Palabras clave:

Adaptación de la adaptación.La evolución convergente es una evolución convergente.Alineación de secuencias múltiples.La evolución paralela de la evolución es paralela.La filogenia es la filogenia.Evolución recurrente recurrente.El SARS-CoV-2 es una glicoproteína de superficie.

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