Identification of Marine Compounds Inhibiting NF-κBInducing Kinase Through Molecular Docking and Molecular Dynamics Simulations DOI Creative Commons
Muhammad Yasir, Jinyoung Park, Eun‐Taek Han

et al.

Biomolecules, Journal Year: 2024, Volume and Issue: 14(12), P. 1490 - 1490

Published: Nov. 22, 2024

NF-κB-inducing kinase (NIK) plays a pivotal role in regulating both the canonical and non-canonical NF-κB signaling pathways, driving expression of proteins involved inflammation, immune responses, cell survival. Overactivation NIK is linked to various pathological conditions, including chronic autoimmune diseases, metabolic disorders, cancer progression. As such, represents compelling target for therapeutic intervention these diseases. In this study, we explored inhibitory potential marine-derived compounds against using integrated computational techniques, molecular docking, dynamics (MD) simulations, free energy calculations. By screening library bioactive marine compounds, identified several promising candidates with strong binding affinity active site. continuously narrowing down at each step, found that santacruzamate A, xanthosine, actinonine stand out step by demonstrating compact binding, highly stable interactions, most favorable profiles, indicating their as effective inhibitors. These findings not only advance our understanding valuable resources drug discovery but also highlight development natural anti-inflammatory therapies targeting NIK. This study opens new avenues future research aimed combating inflammation through inhibition.

Language: Английский

Investigating Chemokine-Induced NF-κB Activation in Retinal Cells and Its Contribution to Age-Related Macular Degeneration Pathogenesis: A Systematic Review DOI Creative Commons

Ifrah Siddiqui,

Nabeel Ahmad Khan,

Fatima Ahmad

et al.

medRxiv (Cold Spring Harbor Laboratory), Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 8, 2024

Abstract Objective To investigate the roles of chemokines in activating NF-κB signaling pathway retinal pigment epithelium (RPE) and photoreceptor cells, their contribution to pathogenesis age-related macular degeneration (AMD). Background AMD is a leading cause vision loss older adults, driven by chronic inflammation oxidative stress. The transcription factor plays key role regulating these processes, with various chemokines, such as CCL2 CX3CL1, influencing activation. Despite advances treatment, deeper understanding how affect activation RPE cells remains critical for developing effective therapies. This study seeks address this gap improve management. Methods A comprehensive search databases, including PubMed, MEDLINE, Google Scholar, was conducted identify relevant studies on cells. covered (MCP-1), CX3CL1 (Fractalkine), CCL3 (MIP-1α), CCL5 (RANTES), CXCL8 (IL-8), CXCL10 (IP-10), CXCL1 (GRO-α), CXCL12 (SDF-1), CCL11 (Eotaxin), CXCL16, CXCL9 (MIG), CXCL11 (I-TAC). Studies were systematically reviewed following PRISMA guidelines assess involvement Results analysis revealed that CCL2, CCL3, CCL5, significantly activated increased apoptosis through enhanced cytokine production reactive oxygen species (ROS) generation. Additionally, CXCL8, CXCL10, CXCL1, triggered activation, contributing stress extracellular matrix (ECM) remodeling, which disrupts structure function. Other CCL11, CXCL9, CXCL11, sustained modulated metalloproteinases (MMPs), further implicating them progression. Conclusion Chemokines, CXCL12, activate driving inflammation, stress, ECM remodeling AMD. These findings highlight potential therapeutic targets mitigate disease

Language: Английский

Citations

0
The Role of NF-<i>κβ</i> and HIF-1<i>α</i> in the Formation of Deep Vein Thrombosis DOI Open Access

Erchang Zhu,

Yueqiu Liu,

Lei Li

et al.

Journal of Biosciences and Medicines, Journal Year: 2024, Volume and Issue: 12(09), P. 307 - 313

Published: Jan. 1, 2024

Language: Английский

Citations

0
Bibliometric analysis of tumor-associated macrophages and colorectal cancer DOI Creative Commons
Yadi Gao, Weichen Yuan,

Jiexiang Zhang

et al.

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 15, 2024

Abstract Background Colorectal cancer (CRC) progression is closely related to the tumor microenvironment (TME). Tumor-associated macrophages (TAMs), predominant immune cells in TME, facilitate proliferation, invasion, metastasis, angiogenesis, chemoresistance, and immunosuppression CRC.TAMs play significant roles both pathological processes therapeutic strategies of CRC. The mutual mechanisms remain unclear, necessitating an in-depth study relationship between TAMs This paper employs bibliometric methods analyze CRC research literature, aiming assess current trends, evaluate status, forecast future directions emerging topics. Methods Publications from Web Science Core Collection (WOSCC) database were searched January 1, 2001, July 31, 2024. Following establishment specific search criteria for time, publication type, language, analysis data visualization conducted using Microsoft Excel, R software, VOSviewer, CiteSpace. Results included 1218 publications, written by 8,302 authors 61 countries 1,657 institutions, published 427 journals, covering 4,451 keywords citing 65,174 references. During period 2017–2023, number publications increased rapidly. most cited country China. leading institutions Sun Yat Sen University, Zhejiang Chinese Academy Sciences, all located Mantovani, Alberto, was prolific author Humanitas University. primary disciplines molecular, biology, immunology, medicine, genetics. Keyword co-occurrence literature co-citation identified NF-κB (nuclear factor kappa-B), endothelial growth factor, polarization, response, PD-1 blockade, checkpoint inhibitors, metabolism as hotspots trends this field. Conclusion employed comprehensively visualize papers 2001 objective hotspots, development targeting CRC, provide a reference point information establish novel driving force treatment.

Language: Английский

Citations

0
Identification of Marine Compounds Inhibiting NF-κBInducing Kinase Through Molecular Docking and Molecular Dynamics Simulations DOI Creative Commons
Muhammad Yasir, Jinyoung Park, Eun‐Taek Han

et al.

Biomolecules, Journal Year: 2024, Volume and Issue: 14(12), P. 1490 - 1490

Published: Nov. 22, 2024

NF-κB-inducing kinase (NIK) plays a pivotal role in regulating both the canonical and non-canonical NF-κB signaling pathways, driving expression of proteins involved inflammation, immune responses, cell survival. Overactivation NIK is linked to various pathological conditions, including chronic autoimmune diseases, metabolic disorders, cancer progression. As such, represents compelling target for therapeutic intervention these diseases. In this study, we explored inhibitory potential marine-derived compounds against using integrated computational techniques, molecular docking, dynamics (MD) simulations, free energy calculations. By screening library bioactive marine compounds, identified several promising candidates with strong binding affinity active site. continuously narrowing down at each step, found that santacruzamate A, xanthosine, actinonine stand out step by demonstrating compact binding, highly stable interactions, most favorable profiles, indicating their as effective inhibitors. These findings not only advance our understanding valuable resources drug discovery but also highlight development natural anti-inflammatory therapies targeting NIK. This study opens new avenues future research aimed combating inflammation through inhibition.

Language: Английский

Citations

0