Theoretical study of the intermolecular recognition mechanism between Survivin and substrate based on conserved binding mode analysis

Wu, Chao; Mao, L.; Huang, Xie; Fu, Weitao; Chen, Xiong; Cai, Yuepiao; Shen, Liqun; Ye, Xiaoxia

doi:10.1016/j.jmgm.2018.05.001

Cited by 5 publications

(2 citation statements)

References 49 publications

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“…The conventional MD simulations were carried out according to a previous report ( Wu et al, 2018 ). Briefly, after the calculation of NGR1 charges by Gaussian 09 software, the optimized crystal structures of AKT and mTOR-mLST8 were applied as the initial structures for the conventional MD simulations.…”

Section: Methodsmentioning

confidence: 99%

Notoginsenoside R1 Regulates Ischemic Myocardial Lipid Metabolism by Activating the AKT/mTOR Signaling Pathway

Wei

Yan

et al. 2022

Front. Pharmacol.

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Ischemic heart diseases are responsible for more than one-third of all deaths worldwide. Radix notoginseng is widely used to treat ischemic heart disease in China and other Asian countries, and notoginsenoside R1 (NGR1) is its characteristic and large-amount ingredient. However, the potential molecular mechanisms of NGR1 in improving ischemic heart diseases are unclear. In this study, we combined pharmacological evaluation with network pharmacology, myocardial proteomics, and conventional molecular dynamics (MD) simulation to explore the cardio-protection mechanisms of NGR1. Our results revealed that NGR1 improved the echocardiographic, tissue pathological, and serum biochemical perturbations in myocardial ischemic rats. The network pharmacology studies indicated that NGR1 mainly regulated smooth muscle cell proliferation, vasculature development, and lipid metabolism signaling, especially in the PI3K/AKT pathway. Myocardial proteomics revealed that the function of NGR1 was focused on regulating metabolic and energy supply processes. The research combined reverse-docked targets with differential proteins and demonstrated that NGR1 modulated lipid metabolism in ischemic myocardia by interacting with mTOR and AKT. Conventional MD simulation was applied to investigate the influence of NGR1 on the structural stabilization of the mTOR and AKT complex. The results suggested that NGR1 can strengthen the affinity stabilization of mTOR and AKT. Our study first revealed that NGR1 enhanced the affinity stabilization of mTOR and AKT, thus promoting the activation of the AKT/mTOR pathway and improving lipid metabolic abnormity in myocardial ischemic rats.

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Section: Methodsmentioning

confidence: 99%

Notoginsenoside R1 Regulates Ischemic Myocardial Lipid Metabolism by Activating the AKT/mTOR Signaling Pathway

Wei

Yan

et al. 2022

Front. Pharmacol.

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“…Survivin also indirectly prevents apoptosis by interaction with mitochondrial protein Smac/DIABLO. Smac/DIABLO protein is secreted from mitochondria to the cytosol during apoptosis and is involved in mitochondrial death in a parallel action with cytochrome C. Smac/DIABLO proteins cause cell death by prevention of IAPs (Figure 2; Verhagen et al, 2000;Wu et al, 2018).…”

Section: Role Of Survivin In Apoptosis Inhibitionmentioning

confidence: 99%

The survivin molecule as a double‐edged sword in cellular physiologic and pathologic conditions and its role as a potential biomarker and therapeutic target in cancer

Rafatmanesh

Behjati

Mobasseri

et al. 2019

Journal Cellular Physiology

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Survivin is a member of the family of apoptosis inhibitory proteins with increased expression level in most cancerous tissues. Evidence shows that survivin plays regulatory roles in proliferation or survival of normal adult cells, principally vascular endothelial cells, T lymphocytes, primitive hematopoietic cells, and polymorphonuclear neutrophils. Survivin antiapoptotic role is, directly and indirectly, related to caspase proteins and shows its role in cell division through the chromosomal passenger complex. Survivin contains many genetic polymorphisms that the role of some variations has been proven in several cancers. The −31G/C polymorphism is one of the most important survivin mutations which is located in the promoter region on a CDE/CHR motif. This polymorphism can upregulate the survivin messenger RNA. In addition, its allele C can increase the risk of cancers in 1.27-fold than allele G.

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Tanshinol alleviates ischemia-induced myocardial fibrosis via targeting ERK2 and disturbing the intermolecular autophosphorylation of ERK2Thr188

Lei,

Chen,

Zhou

et al. 2023

Biomedicine & Pharmacotherapy

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Theoretical study of the intermolecular recognition mechanism between Survivin and substrate based on conserved binding mode analysis

Cited by 5 publications

References 49 publications

Notoginsenoside R1 Regulates Ischemic Myocardial Lipid Metabolism by Activating the AKT/mTOR Signaling Pathway

Notoginsenoside R1 Regulates Ischemic Myocardial Lipid Metabolism by Activating the AKT/mTOR Signaling Pathway

The survivin molecule as a double‐edged sword in cellular physiologic and pathologic conditions and its role as a potential biomarker and therapeutic target in cancer

Tanshinol alleviates ischemia-induced myocardial fibrosis via targeting ERK2 and disturbing the intermolecular autophosphorylation of ERK2Thr188

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