Study on molecular mechanisms of destabilizing Aβ(1–42) protofibrils by licochalcone A and licochalcone B using molecular dynamics simulations

Fang, Mei; Su, Kehe; Wang, Xin; Guan, Ping; Hu, Xiaoling

doi:10.1016/j.jmgm.2023.108500

Cited by 4 publications

(3 citation statements)

References 54 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is consistent with Fang et al depicting enhanced SASA in the complexes of the Aβ 42 protofibril (PDB ID: ) with licochalcone A and licochalcone B as compared to the Aβ 42 protofibril alone. 48…”

Section: Resultsmentioning

confidence: 99%

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations

Kaur,

Mankoo,

Kaur

et al. 2024

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

Section: Resultsmentioning

confidence: 99%

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations

Kaur,

Mankoo,

Kaur

et al. 2024

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…Activation of the α7nAChR-mediated signaling pathways, known to be involved in a range of cellular processes, including cell proliferation and anti-apoptosis, was found to increase Aβ levels in NSCLC cells [ 40 ]. LicoA and LicoB demonstrated anti-Aβ aggregation activity by collapsing the hydrogen bonds inside the Aβ 1–42 protofibril to varying degrees [ 60 ]. LicoE inhibits Aβ 1–42 aggregation through suppression of the choline transporter-like protein 1 function in microglia and TNF-α mRNA expression [ 61 ].…”

Section: Licorice Licochalcone In Nicotine-induced Nsclc Treatmentmentioning

confidence: 99%

The Role of Licorice Chalcones as Molecular Genes and Signaling Pathways Modulator—A Review of Experimental Implications for Nicotine-Induced Non-Small Cell Lung Cancer Treatment

Alsharairi

2024

CIMB

View full text Add to dashboard Cite

Lung cancer (LC) represents the leading cause of global cancer deaths, with cigarette smoking being considered a major risk factor. Nicotine is a major hazardous compound in cigarette smoke (CS), which stimulates LC progression and non-small cell lung cancer (NSCLC) specifically through activation of the nicotinic acetylcholine receptor (α7nAChR)-mediated cell-signaling pathways and molecular genes involved in proliferation, angiogenesis, and metastasis. Chalcones (CHs) and their derivatives are intermediate plant metabolites involved in flavonol biosynthesis. Isoliquiritigenin (ILTG), licochalcone A–E (LicoA–E), and echinatin (ECH) are the most common natural CHs isolated from the root of Glycyrrhiza (also known as licorice). In vitro and/or vivo experiments have shown that licorice CHs treatment exhibits a range of pharmacological effects, including antioxidant, anti-inflammatory, and anticancer effects. Despite advances in NSCLC treatment, the mechanisms of licorice CHs in nicotine-induced NSCLC treatment remain unknown. Therefore, the aim of this paper is to review experimental studies through the PubMed/Medline database that reveal the effects of licorice CHs and their potential mechanisms in nicotine-induced NSCLC treatment.

show abstract

“…In a study conducted by Fang and colleagues, Lico-A’s destabilizing effects on the βA (1–42) protofibril are demonstrated. Molecular docking simulations revealed that Lico-A induces conformational alterations, leading to the destabilization of the βA protofibril (1–42) structure [ 126 ]. Furthermore, Muto and colleagues reported that Lico-A inhibits the aggregation of βA1–42, and other licochalcone derivatives also exhibit effectiveness in this process.…”

Section: Licochalcone A: a Natural Compound With A Multitarget Sidementioning

confidence: 99%

Licochalcone A: A Potential Multitarget Drug for Alzheimer’s Disease Treatment

Olloquequi,

Ettcheto,

Cano

et al. 2023

IJMS

View full text Add to dashboard Cite

Licochalcone A (Lico-A) is a flavonoid compound derived from the root of the Glycyrrhiza species, a plant commonly used in traditional Chinese medicine. While the Glycyrrhiza species has shown promise in treating various diseases such as cancer, obesity, and skin diseases due to its active compounds, the investigation of Licochalcone A’s effects on the central nervous system and its potential application in Alzheimer’s disease (AD) treatment have garnered significant interest. Studies have reported the neuroprotective effects of Lico-A, suggesting its potential as a multitarget compound. Lico-A acts as a PTP1B inhibitor, enhancing cognitive activity through the BDNF-TrkB pathway and exhibiting inhibitory effects on microglia activation, which enables mitigation of neuroinflammation. Moreover, Lico-A inhibits c-Jun N-terminal kinase 1, a key enzyme involved in tau phosphorylation, and modulates the brain insulin receptor, which plays a role in cognitive processes. Lico-A also acts as an acetylcholinesterase inhibitor, leading to increased levels of the neurotransmitter acetylcholine (Ach) in the brain. This mechanism enhances cognitive capacity in individuals with AD. Finally, Lico-A has shown the ability to reduce amyloid plaques, a hallmark of AD, and exhibits antioxidant properties by activating the nuclear factor erythroid 2-related factor 2 (Nrf2), a key regulator of antioxidant defense mechanisms. In the present review, we discuss the available findings analyzing the potential of Lico-A as a neuroprotective agent. Continued research on Lico-A holds promise for the development of novel treatments for cognitive disorders and neurodegenerative diseases, including AD. Further investigations into its multitarget action and elucidation of underlying mechanisms will contribute to our understanding of its therapeutic potential.

show abstract

Study on molecular mechanisms of destabilizing Aβ(1–42) protofibrils by licochalcone A and licochalcone B using molecular dynamics simulations

Cited by 4 publications

References 54 publications

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations

The Role of Licorice Chalcones as Molecular Genes and Signaling Pathways Modulator—A Review of Experimental Implications for Nicotine-Induced Non-Small Cell Lung Cancer Treatment

Licochalcone A: A Potential Multitarget Drug for Alzheimer’s Disease Treatment

Contact Info

Product

Resources

About

Study on molecular mechanisms of destabilizing Aβ(1–42) protofibrils by licochalcone A and licochalcone B using molecular dynamics simulations

Cited by 4 publications

References 54 publications

Insights into the baicalein-induced destabilization of LS-shaped Aβ42 protofibrils using computer simulations

Insights into the baicalein-induced destabilization of LS-shaped Aβ42 protofibrils using computer simulations

The Role of Licorice Chalcones as Molecular Genes and Signaling Pathways Modulator—A Review of Experimental Implications for Nicotine-Induced Non-Small Cell Lung Cancer Treatment

Licochalcone A: A Potential Multitarget Drug for Alzheimer’s Disease Treatment

Contact Info

Product

Resources

About

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations

Insights into the baicalein-induced destabilization of LS-shaped Aβ₄₂ protofibrils using computer simulations