Journal of receptor and signal transduction research最新文献

Biased signaling of endothelial GPCRs as a therapeutic frontier in atherosclerosis. 内皮细胞gpcr的偏倚信号作为动脉粥样硬化的治疗前沿。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-10-15 DOI: 10.1080/10799893.2026.2748609

Durlav Chowdhury, Saptarshi Mukherjee, Priyanka Dubey, Sarvesh K Paliwal, Devi Prasad Pandey, Surendra H Bodakhe

{"title":"Biased signaling of endothelial GPCRs as a therapeutic frontier in atherosclerosis.","authors":"Durlav Chowdhury, Saptarshi Mukherjee, Priyanka Dubey, Sarvesh K Paliwal, Devi Prasad Pandey, Surendra H Bodakhe","doi":"10.1080/10799893.2026.2748609","DOIUrl":"https://doi.org/10.1080/10799893.2026.2748609","url":null,"abstract":"Atherosclerosis is primarily induced by endothelial dysfunction, a pivotal initial occurrence that transforms the arterial wall from a dormant barrier to a pro-inflammatory, pro-thrombotic condition. G protein-coupled receptors (GPCRs) serve as essential sensors governing homeostasis, rendering them crucial therapeutic targets. Nonetheless, conventional unbiased GPCR medications sometimes provoke dose-limiting systemic adverse effects due to pleiotropic transducer engagement and widespread on-target activity across non-vascular tissue beds. Biased GPCR signaling constitutes a revolutionary pharmaceutical paradigm that addresses these constraints. By employing strategically chosen ligands or allosteric modulators that stabilize certain receptor conformations, one can selectively activate vasoprotective, barrier-enhancing pathways while dissociating harmful inflammatory responses. This paper examines the mechanisms of functional selectivity among main endothelium GPCR families, including angiotensin II, sphingosine-1-phosphate, atypical chemokine, and β-adrenergic receptors. Additionally, we highlight the potential of high-resolution structural biology, single-cell transcriptomics, spatial omics, and dynamic bioengineered models as emerging translational instruments to guide future drug discovery. Engineering endothelium-targeted biased therapies is a precise, pathway-specific approach to halt plaque progression, stabilize susceptible lesions, and transform the future of precision cardiovascular care.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"1-10"},"PeriodicalIF":2.3,"publicationDate":"2026-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149198836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Glycan recognition by DC-SIGN, Galectins, and Siglecs: structural insights and ligand-based drug design strategies- a review. DC-SIGN、半凝集素和Siglecs的聚糖识别：结构洞察和基于配体的药物设计策略综述。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-09-30 DOI: 10.1080/10799893.2026.2737642

Meenakshi Mehra, Mamta Goswami, Divya Negi

{"title":"Glycan recognition by DC-SIGN, Galectins, and Siglecs: structural insights and ligand-based drug design strategies- a review.","authors":"Meenakshi Mehra, Mamta Goswami, Divya Negi","doi":"10.1080/10799893.2026.2737642","DOIUrl":"https://doi.org/10.1080/10799893.2026.2737642","url":null,"abstract":"Glycan-mediated communication between immune cells and their environment is orchestrated by a structurally diverse set of lectin receptors whose exquisite ligand specificity governs both protective immunity and pathological immune evasion. Among these, the C-type lectin DC-SIGN, the proto- and chimera-type Galectins, and the immunoglobulin-like Siglecs occupy central positions in shaping innate and adaptive immune responses. Understanding the molecular basis of these interactions including the thermodynamics and kinetics of binding, the roles of multivalency and avidity, and the structural dynamics of recognition pockets is essential for both decoding immune regulation and developing precision therapeutics. This review presents a mechanistic and comparative analysis of glycan recognition across all three lectin families. We discuss how pathogens exploit these receptors to evade immunity, how tumors deploy hypersialylation and galectin secretion as non-canonical immune checkpoints, and how structural knowledge has enabled rational ligand-based drug design. Current therapeutic strategies including glycomimetic inhibitors, monoclonal antibodies, clustered regularly interspaced short palindromic repeats (CRISPR)-mediated glycoengineering, and chimeric antigen receptor T-cell (CAR-T) cell approaches are critically evaluated alongside emerging technologies in AI-assisted glycochemistry, single-cell glycomics, spatial glycoproteomics, and glycan nanoparticle delivery. We conclude by outlining a framework for precision glycoimmunotherapy in cancer, infection, fibrosis, and autoimmunity, positioning lectins as dynamic immune checkpoints whose structural plasticity makes them compelling and tractable drug targets.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"1-17"},"PeriodicalIF":2.3,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149122896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conformational energy basin mapping and quantum interaction profiling reveal a persistent KRAS-bound small molecule with enhanced binding stability. 构象能量图谱和量子相互作用分析揭示了一个具有增强结合稳定性的持续kras结合小分子。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-09-26 DOI: 10.1080/10799893.2026.2737641

Vivek Dhar Dwivedi, Mohd Saeed, Mohammad Amjad Kamal

{"title":"Conformational energy basin mapping and quantum interaction profiling reveal a persistent KRAS-bound small molecule with enhanced binding stability.","authors":"Vivek Dhar Dwivedi, Mohd Saeed, Mohammad Amjad Kamal","doi":"10.1080/10799893.2026.2737641","DOIUrl":"https://doi.org/10.1080/10799893.2026.2737641","url":null,"abstract":"KRAS is a major oncogenic target in precision oncology because of its conformational flexibility and limited druggability. This study employed an integrated multiscale computational strategy to identify and characterize novel KRAS inhibitors with improved structural, thermodynamic, and electronic stability. Virtual screening and molecular docking identified three promising compounds, F3409-0029, F6725-0291, and F3408-0006, with strong affinity for the KRAS active site. To assess conformational stability and ligand adaptability, we performed 500 ns molecular dynamics simulations for all complexes. Among them, the KRAS-F3408-0006 complex showed the highest structural stability, as reflected in stable RMSD values, reduced residue fluctuations, compact conformational behavior, and sustained ligand accommodation throughout the trajectory. MM/GBSA calculations revealed favorable binding energetics dominated by van der Waals and electrostatic interactions. Per-residue MM/GBSA decomposition also identified key energetic hotspots that contribute to F3408-0006 binding to KRAS. Principal component analysis and free energy landscape profiling further showed restricted collective motions and a dominant low-energy conformational basin, supporting greater thermodynamic stability than the reference inhibitor. Density functional theory and QM/MM analyses additionally confirmed favorable frontier molecular orbital distribution and stable quantum-level interactions within the binding cavity. Overall, F3408-0006 emerged as a promising KRAS inhibitor candidate for future experimental validation.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"1-16"},"PeriodicalIF":2.3,"publicationDate":"2026-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149067054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational exploration of phycobiliproteins-derived peptides: in-silico gastrointestinal digestion and multi-target molecular docking against Alzheimer's disease-related enzymes. 藻胆蛋白衍生肽的计算探索：针对阿尔茨海默病相关酶的硅胃肠道消化和多靶点分子对接。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-08-24 DOI: 10.1080/10799893.2026.2723004

Ibtissam Lijassi, Zineb Mansouri, Laila Rhazi, Imane Wahby

{"title":"Computational exploration of phycobiliproteins-derived peptides: in-silico gastrointestinal digestion and multi-target molecular docking against Alzheimer's disease-related enzymes.","authors":"Ibtissam Lijassi, Zineb Mansouri, Laila Rhazi, Imane Wahby","doi":"10.1080/10799893.2026.2723004","DOIUrl":"10.1080/10799893.2026.2723004","url":null,"abstract":"Alzheimer's disease (AD) is a multifactorial neurodegenerative disorder characterized by amyloid-β (Aβ) accumulation, Tau hyperphosphorylation, and cholinergic dysfunction, necessitating multi-target therapeutic strategies. This study evaluated phycobiliproteins (PBPs) as dietary precursors of neuroprotective compounds acting on multiple AD pathways. After simulated gastrointestinal digestion, peptide fractions P1 (GCAPR), P2 (QAGDQL), and P3 (AGDASVL) were assessed alongside phycocyanobilin (PCB) using molecular docking against Beta-secretase 1, Glycogen synthase kinase 3 beta, Acetylcholinesterase, and Butyrylcholinesterase. PCB showed strong affinities toward BChE (-10.0 kcal/mol) and GSK-3β (-8.4 kcal/mol), suggesting modulation of tauopathic and late-stage cholinergic pathways. P2 exhibited notable binding to AChE (-8.8 kcal/mol) and BACE1 (-7.6 kcal/mol), indicating effects on amyloidogenic and early cholinergic mechanisms, while P1 and P3 provided complementary moderate activity. Overall, these findings support further investigation of PBPs as potential sources of bioactive compounds for functional food and nutraceutical applications targeting AD-related pathways.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"168-177"},"PeriodicalIF":2.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148815347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Statement of Retraction: Long noncoding RNA LINC00858 promotes the progression of ovarian cancer via regulating the miR-134-5p/TRIM44 axis. 撤回声明：长链非编码RNA LINC00858通过调节miR-134-5p/TRIM44轴促进卵巢癌的进展。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-08-25 DOI: 10.1080/10799893.2026.2719191

引用次数: 0

Computational identification of Allium sativum phytochemicals with predicted binding to the dopamine D2 receptor relevant to bipolar disorder. 与双相情感障碍相关的多巴胺D2受体结合的葱植物化学物质的计算鉴定。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-08-19 DOI: 10.1080/10799893.2026.2718727

Murat Kaan Pekgoz, Tunc Catal, Belkıs Atasever-Arslan

{"title":"Computational identification of Allium sativum phytochemicals with predicted binding to the dopamine D2 receptor relevant to bipolar disorder.","authors":"Murat Kaan Pekgoz, Tunc Catal, Belkıs Atasever-Arslan","doi":"10.1080/10799893.2026.2718727","DOIUrl":"10.1080/10799893.2026.2718727","url":null,"abstract":"Bipolar disorder is a mental illness that causes people to have periods of mania and depression. The dopamine D2 receptor (D2DR), which modulates dopamine levels and is essential for the reward system, mood stabilization, and motivation, along with the serotonin 5-HT2A receptor (HT2AR), which significantly influences mood stability, cognitive function, and anxiety responses via serotonergic signaling, are crucial in bipolar disorder. It was studied the potential interactions of Allium sativum L. chemicals with the dopamine D2 receptor and serotonin 5-HT2A receptor by in silico approaches. This study suggests that the bioactive compounds found in A. sativum L. may exhibit binding affinity toward the dopamine D2 receptor. In contrast, considerably lower binding affinities were observed toward the serotonin 5-HT2A receptor. Their predicted binding characteristics toward the dopamine D2 receptor are reported for the first time. According to findings, especially N-trans-feruloyltramine possesses a structurally stable binding affinity for the dopamine D2 receptor and may represent a computationally prioritized ligand for future experimental investigation concentrating on dopaminergic signaling. Further experimental studies are required to validate these computational findings.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"156-167"},"PeriodicalIF":2.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148805397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In silico investigation of novel isatin derivatives as potential multi-target anticancer agents targeting VEGFR-2, EGFR, and caspase-6. 新型isatin衍生物作为靶向VEGFR-2、EGFR和caspase-6的潜在多靶点抗癌药物的计算机研究。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-08-02 DOI: 10.1080/10799893.2026.2710911

Vipul Kumar, Vivek Kumar, Prabodh Chander Sharma, Deepak Sheokand, Ajit Kumar, Sahil Kumar

{"title":"In silico investigation of novel isatin derivatives as potential multi-target anticancer agents targeting VEGFR-2, EGFR, and caspase-6.","authors":"Vipul Kumar, Vivek Kumar, Prabodh Chander Sharma, Deepak Sheokand, Ajit Kumar, Sahil Kumar","doi":"10.1080/10799893.2026.2710911","DOIUrl":"10.1080/10799893.2026.2710911","url":null,"abstract":"The isatin scaffold has emerged as a promising platform for the development of anticancer agents, as evidenced by several clinically relevant isatin-based compounds. In this study, 85 novel isatin derivatives were designed based on literature reports and evaluated using drug-likeness prediction, ADME profiling, molecular docking, and molecular dynamics simulations. The compounds were screened against VEGFR-2, EGFR, and caspase-6 to identify potential multi-target lead candidates. Based on their binding affinity and pharmacokinetic properties, 41 compounds were shortlisted for further evaluation. Among them, compound 4 exhibited the most favorable binding profile and stable interactions with the selected targets. These findings suggest that compound 4 represents a promising lead for further investigation. However, experimental studies, including enzyme inhibition, cell-based assays, and in vivo evaluation, are required to validate its therapeutic potential. Overall, this study highlights the usefulness of computational approaches in the discovery of novel isatin-based multi-target lead candidates for cancer therapy.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"139-155"},"PeriodicalIF":2.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148655528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Statement of Retraction: The stimulative function of long noncoding RNA CDKN2B-AS1 in osteosarcoma by targeting the microRNA-122/CCNG1 axis. 撤销声明：长链非编码RNA CDKN2B-AS1通过靶向microRNA-122/CCNG1轴在骨肉瘤中的刺激功能。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-08-25 DOI: 10.1080/10799893.2026.2719192

引用次数: 0

Drug repurposing for TAK1 inhibition in inflammatory diseases and cancer: virtual screening identifies nilotinib and dabrafenib as potential candidates. 在炎症性疾病和癌症中用于TAK1抑制的药物再利用：虚拟筛选确定尼洛替尼和达非尼为潜在的候选药物

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-08-01 Epub Date: 2026-09-04 DOI: 10.1080/10799893.2026.2726839

Jaber A Alshehri, Turki Alfuhayr

{"title":"Drug repurposing for TAK1 inhibition in inflammatory diseases and cancer: virtual screening identifies nilotinib and dabrafenib as potential candidates.","authors":"Jaber A Alshehri, Turki Alfuhayr","doi":"10.1080/10799893.2026.2726839","DOIUrl":"10.1080/10799893.2026.2726839","url":null,"abstract":"TGF-beta-activated kinase 1 (TAK1) is a critical regulator of inflammatory and oncogenic signaling pathways and represents a promising therapeutic target for diseases ranging from chronic inflammation to cancer. However, existing therapies targeting downstream mediators often face limitations such as drug resistance and inconsistent efficacy. Here, we report on drug repurposing to discover FDA-approved compounds that can suppress TAK1 activity. Molecular docking of 3500 drugs from the DrugBank database was performed, followed by drug profiling, biological activity analysis, and 500-nanosecond molecular dynamics (MD) simulations via a multi-step computational protocol. The systematic screening identified a few hits where two drugs, nilotinib and dabrafenib, showed appreciable binding affinity to the ATP-binding site of TAK1 and showed appropriate drug profiles. Stable interaction analyses indicated consistent engagement of catalytic residues and structural motifs essential for ATP binding and subsequent TAK1 function. MD simulations further indicated stable TAK1-ligand complexes for both nilotinib and dabrafenib, with persistent hydrogen-bonding interactions and maintenance of protein compactness throughout the simulations. These findings support the repositioning of nilotinib and dabrafenib as potential TAK1-targeting compounds toward therapeutic development against inflammation-driven pathologies and cancer. Experimentally validating these insights at the level of cells, tissues, organs, and body systems is necessary to translate computational insights into practical use for therapeutic development.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"178-190"},"PeriodicalIF":2.3,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148893335","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In silico investigation of Panchagavya Ghrita's anticancer potential against glioblastoma: a network pharmacology and molecular docking study. Panchagavya Ghrita抗胶质母细胞瘤潜能的计算机研究：网络药理学和分子对接研究。

IF 2.3

Journal of receptor and signal transduction research Pub Date : 2026-06-01 Epub Date: 2026-06-20 DOI: 10.1080/10799893.2026.2689329

Omkar Giri, Ankita Ingole, Nilima Dharkar, Loveleen Kour, Neha Patil, Abhijeet Shirkande

{"title":"In silico investigation of Panchagavya Ghrita's anticancer potential against glioblastoma: a network pharmacology and molecular docking study.","authors":"Omkar Giri, Ankita Ingole, Nilima Dharkar, Loveleen Kour, Neha Patil, Abhijeet Shirkande","doi":"10.1080/10799893.2026.2689329","DOIUrl":"10.1080/10799893.2026.2689329","url":null,"abstract":"Background: Glioblastoma multiforme (GBM) is the most aggressive primary brain tumor, characterized by rapid progression, marked heterogeneity, and resistance to standard therapies. The complexity of its oncogenic networks necessitates multi-target therapeutic strategies. Panchagavya Ghrita (PG), a traditional Ayurvedic formulation containing diverse bioactive constituents with reported anti-inflammatory and antioxidant properties, has not been systematically explored for GBM.Research design and methods: GC-MS identified PG compounds were evaluated for drug-likeness using SwissADME. Predicted targets were intersected with GBM-associated genes to identify common targets, which were subjected to functional enrichment and protein-protein interaction analyses. Key hub targets were prioritized, and molecular docking was performed using CB-Dock2. Expression patterns and prognostic relevance were assessed using GEPIA and the Human Protein Atlas.Results: All evaluated compounds met drug-likeness criteria. Network analysis identified 10 hub targets enriched in GBM-relevant pathways, including PI3K-AKT, HIF-1, EGFR-related signaling, and apoptosis regulation. Docking analyses demonstrated favorable interactions between PG bioactives and multiple hub proteins. Expression analyses confirmed dysregulation of several hubs in GBM, with CASP3 showing significant survival association.Conclusions: This integrative in silico analysis suggests that PG contains multi-target bioactive molecules capable of modulating critical GBM-associated pathways, providing a rationale for further experimental validation.","PeriodicalId":520688,"journal":{"name":"Journal of receptor and signal transduction research","volume":" ","pages":"84-99"},"PeriodicalIF":2.3,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148298798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0