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乳铁蛋白与凋亡相关蛋白的分子对接：对其抗癌机制的见解

Molecular Docking of Lactoferrin with Apoptosis-Related Proteins Insights into Its Anticancer Mechanism.

作者信息

Angel-Lerma Lidia Esmeralda, Carrillo-Campos Javier, Siañez-Estrada Luis Ignacio, Siqueiros-Cendón Tania Samanta, León-Flores Dyada Blanca, Espinoza-Sánchez Edward Alexander, Arévalo-Gallegos Sigifredo, Iglesias-Figueroa Blanca Flor, Rascón-Cruz Quintín

机构信息

Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Campus II Circuito Universitario s/n, Chihuahua 31125, Mexico.

Facultad de Zootecnia y Ecología, Universidad Autónoma de Chihuahua, Periférico Francisco R. Almada km 1, Chihuahua 31453, Mexico.

出版信息

Int J Mol Sci. 2025 Feb 26;26(5):2023. doi: 10.3390/ijms26052023.

DOI:10.3390/ijms26052023
PMID:40076649
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11899785/
Abstract

Human Lactoferrin (hLf), a multifunctional glycoprotein, has been analyzed through molecular docking to evaluate its role in apoptosis regulation and its potential as an anticancer agent. The docking results highlight XIAP (X-linked Inhibitor of Apoptosis Protein) and Caspase-3 as the most reliable targets, where hLf disrupts XIAP's inhibition of Caspase-3 and Caspase-9, potentially restoring apoptotic signaling; hLf also stabilizes Caspase-3, enhancing its activation in intrinsic and extrinsic pathways. Weaker interactions were observed with Fas, Bcl-2, and Akt. hLf's role in Fas signaling is likely due to expression upregulation rather than direct binding. In contrast, its binding to Bcl-2 may disrupt anti-apoptotic function, and its interaction with Akt suggests interference with pro-survival signaling. These findings suggest that hLf may promote apoptosis by enhancing caspase activation and modulating key apoptotic regulators, supporting its potential use in cancer treatment. However, further experimental validation is needed to confirm these interactions and their therapeutic implications.

摘要

人乳铁蛋白（hLf）是一种多功能糖蛋白，已通过分子对接进行分析，以评估其在细胞凋亡调节中的作用及其作为抗癌剂的潜力。对接结果突出显示X连锁凋亡抑制蛋白（XIAP）和半胱天冬酶-3是最可靠的靶点，hLf可破坏XIAP对半胱天冬酶-3和半胱天冬酶-9的抑制作用，有可能恢复凋亡信号；hLf还可稳定半胱天冬酶-3，增强其在内源性和外源性途径中的激活。观察到与Fas、Bcl-2和Akt的相互作用较弱。hLf在Fas信号传导中的作用可能是由于表达上调而非直接结合。相反，它与Bcl-2的结合可能会破坏抗凋亡功能，其与Akt的相互作用表明对生存信号传导有干扰。这些发现表明，hLf可能通过增强半胱天冬酶激活和调节关键的凋亡调节因子来促进细胞凋亡，支持其在癌症治疗中的潜在用途。然而，需要进一步的实验验证来证实这些相互作用及其治疗意义。

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