Journal of Receptors and Signal Transduction最新文献

Bortezomib suppresses TGF-β1-mediated LOXL4 reduction through the inhibition of MEK/ERK pathways in MDA-MB-231 cells.

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2025-01-25 DOI: 10.1080/10799893.2025.2455594

Tetsuro Kamiya, Kana Ishii, Kiyomi Ozawa, Hirokazu Hara

{"title":"Bortezomib suppresses TGF-β1-mediated LOXL4 reduction through the inhibition of MEK/ERK pathways in MDA-MB-231 cells.","authors":"Tetsuro Kamiya, Kana Ishii, Kiyomi Ozawa, Hirokazu Hara","doi":"10.1080/10799893.2025.2455594","DOIUrl":"https://doi.org/10.1080/10799893.2025.2455594","url":null,"abstract":"Lysyl oxidase (LOX), a copper-containing secretory oxidase, plays a key role in the regulation of extracellular stiffness through cross-linking with collagen and elastin. Among the LOX family of enzymes, LOX-like 4 (LOXL4) exhibits pro-tumor and anti-tumor properties; therefore, the functional role of LOXL4 in tumor progression is still under investigation. Here, we first determined that transforming growth factor-β1 (TGF-β1) significantly decreased LOXL4 expression in human breast cancer MDA-MB-231 cells, which suggested that decreased LOXL4 may participate in tumor progression. In this study, we also investigated how TGF-β1 decreases LOXL4 expression. TGF-β1-induced intracellular reactive oxygen species (ROS) played a role in LOXL4 protein expression but had no effect on LOXL4 mRNA levels. The proteasomal inhibitor, bortezomib, significantly suppressed TGF-β1-mediated LOXL4 reduction, which indicated that TGF-β1 facilitates LOXL4 proteasomal degradation. Furthermore, bortezomib inhibited TGF-β1-induced MEK/ERK pathways which are involved in LOXL4 reduction and TGF-β1-mediated cell migration. Finally, we also determined the potential role of N-glycosylation in LOXL4 secretion. We found that the dysregulation of N-glycosylation may be involved in the reduction in LOXL4 secretion. Overall, bortezomib is expected to inhibit TNBC progression by inhibiting both the MEK/ERK and proteasomal degradation pathways, which regulate LOXL4 expression.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"1-10"},"PeriodicalIF":2.6,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143039386","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Angiotensin III activates ERK1/2 mitogen activated protein kinases and proliferation of rat vascular smooth muscle cells. 血管紧张素III激活ERK1/2丝裂原活化蛋白激酶和大鼠血管平滑肌细胞的增殖。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2025-01-13 DOI: 10.1080/10799893.2025.2451890

Ahmed Z Alanazi, Michelle A Clark

{"title":"Angiotensin III activates ERK1/2 mitogen activated protein kinases and proliferation of rat vascular smooth muscle cells.","authors":"Ahmed Z Alanazi, Michelle A Clark","doi":"10.1080/10799893.2025.2451890","DOIUrl":"https://doi.org/10.1080/10799893.2025.2451890","url":null,"abstract":"The proliferative effects of angiotensin (Ang) II in vascular smooth muscle cells (VSMCs) through its ability to stimulate extracellular signal-regulated kinases 1 and 2 (ERK1/2) pathway have been established. The main goal of this study was to explore whether Ang III induces ERK1/2 MAPK and VSMC proliferation in cultured Wistar VSMCs. Further, the Ang III actions were compared to those observed in VSMCs derived from the spontaneously hypertensive rat (SHR). We hypothesized that in VSMCs Ang III will have similar actions as Ang II to induce ERK1/2 MAPK and cellular proliferation and this ability may be different in VSMCs isolated from Wistar versus SHR rats. Time and/or concentration-dependent effects of Ang III and Ang II were determined in VSMCs using western blot analysis and DNA incorporation assay. The results showed that ERK1/2 MAPK phosphorylation mediated by Ang II or Ang III were concentration- and time-dependent in Wistar VSMCs. Moreover, Ang III was less effective in mediating ERK1/2 phosphorylation in SHR VSMCs as compared to effects seen in Wistar rat VSMCs. Ang III induced ERK1/2 phosphorylation through the AT1 receptors activation. Ang II and Ang III induced VSMC DNA synthesis via the AT1 receptor in a concentration-dependent manner in Wistar VSMCs. Moreover, Ang III induced VSMC proliferation and significant differences existed in the peptide's proliferation effects in Wistar versus SHR VSMCs. These results indicate that Ang III stimulates ERK1/2 MAPK and DNA synthesis in VSMCs via AT1 receptors. However, its ability to stimulate these pathways is reduced in SHR VSMCs.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"1-12"},"PeriodicalIF":2.6,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142971151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Novel therapeutic approaches targeting 5-HT7 receptors outside the central nervous system. 靶向中枢神经系统外5-HT7受体的新治疗方法。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2025-01-04 DOI: 10.1080/10799893.2024.2446401

Melis Kilic, Zeynep Karakoy, Hamza Halici, Elif Cadirci, Zekai Halici

引用次数: 0

Deciphering the involvement of norepinephrine and β-adrenergic receptor subtypes in glucose induced insulin secretion: an integrated in silico and in vitro exploration using isolated pancreatic islets of C57BL/6J mice. 解码去甲肾上腺素和β-肾上腺素能受体亚型参与葡萄糖诱导的胰岛素分泌：利用C57BL/6J小鼠离体胰岛的集成硅和体外探索。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-12-27 DOI: 10.1080/10799893.2024.2446393

Vijayalakshmi Gangadhara, Asha Abraham

{"title":"Deciphering the involvement of norepinephrine and β-adrenergic receptor subtypes in glucose induced insulin secretion: an integrated in silico and in vitro exploration using isolated pancreatic islets of C57BL/6J mice.","authors":"Vijayalakshmi Gangadhara, Asha Abraham","doi":"10.1080/10799893.2024.2446393","DOIUrl":"https://doi.org/10.1080/10799893.2024.2446393","url":null,"abstract":"Regulating insulin production by pancreatic beta cells is crucial for maintaining metabolic balance. Previous studies observed elevated neurotransmitter levels, like norepinephrine (NE), in metabolic syndrome mice with impaired insulin secretion. Given the therapeutic potential of β-adrenergic receptors (β-ARs) for diabetes and obesity, and the lack of structural data on murine β-ARs, we aimed to construct and validate 3D models to investigate their roles in insulin secretion regulation. We constructed high-quality 3D models for murine β1-AR, β2-AR, and β3-AR using Phyre2 and Ramachandran plot analysis. Molecular docking revealed NE's strong binding affinity for all three β-AR subtypes through favorable docking scores and hydrogen bond formations. We evaluated the physiological impact of NE on glucose-induced insulin secretion via β-ARs under physiological and elevated glucose conditions using pancreatic islets from C57BL/6J mice. At physiological glucose levels, NE did not significantly increase insulin secretion. However, higher NE concentrations suppressed insulin release at elevated glucose. The β3-AR agonist CL316243 significantly increased (p < 0.01), insulin secretion under normal and hyperglycemic conditions, while the β3-AR antagonist L748337 substantially decreased (p < 0.01)insulin release under normal glucose, confirming their interactions through docking studies. The nonselective β-AR antagonist propranolol significantly decreased (p < 0.01)insulin secretion, suggesting alternative interactions with β1-AR and β2-AR despite lacking hydrogen bonds. Our study enhances the understanding of NE's role in modulating insulin secretion and underscores the significance of β-ARs, especially β3-AR, in its regulation, providing valuable insights for potential therapeutic interventions targeting these receptors in metabolic disorders.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"1-13"},"PeriodicalIF":2.6,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142895580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational insights into potent USP5 inhibitors based on multistep virtual screening and molecular dynamics simulation. 基于多步虚拟筛选和分子动力学模拟的 USP5 强效抑制剂的计算见解。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-12-19 DOI: 10.1080/10799893.2024.2443682

Qian Xie, Linan Zhao, Dong Hu, Jing Fu, Zhengping Chen, Xia Yang, Le Fu

引用次数: 0

Quest for discovering novel CDK12 inhibitor. 探索新的CDK12抑制剂。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-12-19 DOI: 10.1080/10799893.2024.2441185

Abhijit Debnath, Rajesh Kumar Singh, Rupa Mazumder, Avijit Mazumder, Shikha Srivastava, Hema Chaudhary, Saloni Mangal, Jahanvi Sanchitra, Pankaj Kumar Tyagi, Sachin Kumar Singh, Anil Kumar Singh

{"title":"Quest for discovering novel CDK12 inhibitor.","authors":"Abhijit Debnath, Rajesh Kumar Singh, Rupa Mazumder, Avijit Mazumder, Shikha Srivastava, Hema Chaudhary, Saloni Mangal, Jahanvi Sanchitra, Pankaj Kumar Tyagi, Sachin Kumar Singh, Anil Kumar Singh","doi":"10.1080/10799893.2024.2441185","DOIUrl":"https://doi.org/10.1080/10799893.2024.2441185","url":null,"abstract":"CDK12 is essential for cellular processes like RNA processing, transcription, and cell cycle regulation, inhibiting cancer cell growth and facilitating macrophage invasion. CDK12 is a significant oncogenic factor in various cancers, including HER2-positive breast cancer, Anaplastic thyroid carcinoma, Hepatocellular carcinoma, prostate cancer, and Ewing sarcoma. It is also regarded as a potential biomarker, emphasizing its broader significance in oncology. Targeting CDK12 offers a promising strategy to develop therapy. Various monoclonal antibodies have drawn wide attention, but they are expensive compared to small-molecule inhibitors, limiting their accessibility and affordability for patients. Consequently, this research aims to identify effective CDK12 inhibitors using comprehensive high-throughput virtual screening. RASPD protocol has been employed to screen three different databases against the target followed by drug-likeness, molecular docking, ADME, toxicity, Consensus molecular docking, MD Simulation, and in-vitro studies MTT assay. The research conducted yielded one compound ZINC11784547 has demonstrated robust binding affinity, favorable ADME features, less toxicity, remarkable stability, and cytotoxic effect. The identified compound holds promise for promoting cancer cell death through CDK12 inhibition.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"1-21"},"PeriodicalIF":2.6,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142854582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Evaluation of the effect of Helicobacter pylori -derived OMVs and released exosomes from stomach cells treated with OMVs on the expression of genes related to the TGF-β/SMAD signaling pathway in hepatocellular carcinoma. 评价胃细胞中幽门螺杆菌源性omv及释放外泌体对肝癌中TGF-β/SMAD信号通路相关基因表达的影响

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-10-01 Epub Date: 2024-12-03 DOI: 10.1080/10799893.2024.2436461

Zohreh Mohammadi Azad, Mehrdad Moosazadeh Moghaddam, Mahdi Fasihi-Ramandi, Setareh Haghighat, Reza Mirnejad

{"title":"Evaluation of the effect of Helicobacter pylori -derived OMVs and released exosomes from stomach cells treated with OMVs on the expression of genes related to the TGF-β/SMAD signaling pathway in hepatocellular carcinoma.","authors":"Zohreh Mohammadi Azad, Mehrdad Moosazadeh Moghaddam, Mahdi Fasihi-Ramandi, Setareh Haghighat, Reza Mirnejad","doi":"10.1080/10799893.2024.2436461","DOIUrl":"10.1080/10799893.2024.2436461","url":null,"abstract":"OMVs derived from Helicobacter pylori can lead to cell transformation in gastric epithelium and cancer. Additionally, exosomes (Exos) released by host cells infected with H. pylori can significantly contribute to the development of diseases such as cancer. In this study, the effects of both Exos from AGS cells treated with H. pylori-derived OMVs on the expression of genes related to the TGF-β/SMAD signaling pathway in hepatocellular carcinoma (HCC) cells were investigated. The TGF-β/SMAD pathway is one of the most important pathways that regulate the development and progression of HCC. For this purpose, after treating HepG2 cells with H. pylori-derived OMVs (directly) and Exos from AGS cells treated with H. pylori-derived OMVs (indirectly), the expression levels of TGF-β, SMAD2, SMAD3, SMAD4, and ERK genes were analyzed using Real-time PCR. The findings showed that OMVs derived from H. pylori can significantly increase the expression of genes involved in the TGF-β signaling pathway, which can affect the aggressive behavior of HepG2 cells. Additionally, exosomes secreted from AGS cells or AGS cells treated with OMVs had no effect on changing the expression of the studied genes. Therefore, only the OMVs released from H. pylori can affect the TGF-β/SMAD signaling pathway in HCC cells.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"181-190"},"PeriodicalIF":2.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The combined use of thymoquinone and metformin provides more effective neuroprotection in a mouse model of MPTP-induced Parkinson's disease. 在 MPTP 诱导的帕金森病小鼠模型中，联合使用胸腺醌和二甲双胍可提供更有效的神经保护。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-10-01 Epub Date: 2024-11-25 DOI: 10.1080/10799893.2024.2434112

Oguzhan Kavrik, Nurhan Gumral, Ozlem Ozmen, Rahime Aslankoc, Mustafa Saygin, Arzu Yalcin

{"title":"The combined use of thymoquinone and metformin provides more effective neuroprotection in a mouse model of MPTP-induced Parkinson's disease.","authors":"Oguzhan Kavrik, Nurhan Gumral, Ozlem Ozmen, Rahime Aslankoc, Mustafa Saygin, Arzu Yalcin","doi":"10.1080/10799893.2024.2434112","DOIUrl":"10.1080/10799893.2024.2434112","url":null,"abstract":"Thymoquinone (TQ) is known for its antioxidant properties, and although metformin (MM) is known as an antidiabetic drug, it is suggested that it reduces neurodegeneration. The study aimed to investigate the neuroprotective effects of TQ and MM, particularly when used together, in relation to Parkinson's disease (PD). In the study, sixty-eight male C57BL/6 mice weighing 25-30 g were divided into five groups as follows: control, MPTP, MPTP+TQ, MPTP+MM, and MPTP+TQ+MM. MM (500 mg/kg, orally) and TQ (5 mg/kg, i.p.) were administered for 21 days. Motor coordination and locomotor activities were evaluated by the pole test. TOS and TAS analyses were conducted to determine oxidative stress levels in the substantia nigra. Dopaminergic degeneration in the substantia nigra was evaluated by analyzing Tyrosine hydroxylase (TH). To evaluate the apoptotic pathway, the expression levels of iNOS, BDNF, Complex 1, Bax, Bcl-2, Cytochrome C, AIF, and Caspase-3 were examined immunohistochemically. Compared to the MPTP-treated group, TQ, MM and MM+TQ treatment provided significant improvement in locomotor activity in mice, significantly increased antioxidant activity, significantly reduced the expression levels of iNOS, Bax, Cytochrome C, Caspase-3, and AIF, significantly increased BDNF, Bcl-2, and Complex 1 expressions, and significantly increased the number of TH positive cells. The separate use of TQ and MM exhibits neuroprotective activity, however, we showed that using TQ and MM in combination may be more effective. This may provide preclinical evidence supporting the therapeutic potential of their combined use for treating PD.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"161-173"},"PeriodicalIF":2.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142716412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of dapagliflozin on pulmonary vascular remodeling in rats with chronic hypoxic pulmonary arterial hypertension. 达格列净对慢性缺氧肺动脉高压大鼠肺血管重构的影响。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-10-01 Epub Date: 2024-12-14 DOI: 10.1080/10799893.2024.2433083

Yi Xu, Wenxue Liang, Juan Huo, Ting Zhang, Tianpu Feng, Man Li, Zhemin Zhu, Ping Zhou, Shasha Zhu, Yingzhi Lu, Lei Wang

{"title":"Effect of dapagliflozin on pulmonary vascular remodeling in rats with chronic hypoxic pulmonary arterial hypertension.","authors":"Yi Xu, Wenxue Liang, Juan Huo, Ting Zhang, Tianpu Feng, Man Li, Zhemin Zhu, Ping Zhou, Shasha Zhu, Yingzhi Lu, Lei Wang","doi":"10.1080/10799893.2024.2433083","DOIUrl":"10.1080/10799893.2024.2433083","url":null,"abstract":"Objective: To investigate the effects of sodium-glucose co-transporter 2 inhibitor dapagliflozin on pulmonary vascular remodeling in a rat model of chronic hypoxic pulmonary arterial hypertension.Methods: Eighteen female Sprague-Dawley rats were divided into three groups: control (CON), chronic hypoxia (HYP), and chronic hypoxia + dapagliflozin. The HYP and dapagliflozin groups were subjected to hypoxia and received saline or dapagliflozin. The CON group was normoxic and received saline. Body weight and fasting blood glucose were measured, and after 21 days, lung and heart tissues were analyzed for pulmonary artery reconstruction and right ventricular hypertrophy. Western blotting assessed Bax and Bcl-2 protein levels.Results: Chronic hypoxia increased pulmonary artery wall thickness and lung fibrosis and caused right ventricular hypertrophy. Dapagliflozin reduced these changes, decreasing artery wall thickness, fibrosis, and hypertrophy while increasing the Bax/Bcl-2 ratio.Conclusion: Dapagliflozin alleviates chronic hypoxia-induced pulmonary artery wall thickening and lung tissue fibrosis in rats, potentially through proapoptotic effects.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"174-180"},"PeriodicalIF":2.6,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142823834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigating the inhibitory potential of natural bioactive compounds against cyclin-dependent kinase 13: virtual high throughput screening and MD simulation studies to target CDK signaling. 研究天然生物活性化合物对细胞周期蛋白依赖性激酶 13 的抑制潜力：针对 CDK 信号转导的虚拟高通量筛选和 MD 模拟研究。

IF 2.6 4区生物学

Journal of Receptors and Signal Transduction Pub Date : 2024-08-01 Epub Date: 2024-11-23 DOI: 10.1080/10799893.2024.2430495

Zehra, Farah Anjum, Talha Jawaid, Romana Ishrat, Md Imtaiyaz Hassan

{"title":"Investigating the inhibitory potential of natural bioactive compounds against cyclin-dependent kinase 13: virtual high throughput screening and MD simulation studies to target CDK signaling.","authors":"Zehra, Farah Anjum, Talha Jawaid, Romana Ishrat, Md Imtaiyaz Hassan","doi":"10.1080/10799893.2024.2430495","DOIUrl":"10.1080/10799893.2024.2430495","url":null,"abstract":"Cyclin-dependent kinase 13 (CDK13) belongs to the cyclin-dependent kinase (CDK) family that is actively involved in transcription regulation and RNA splicing. CDK13 binds with its partner, cyclin K, to regulate several biological processes. CDK13 and cyclin K complex phosphorylates RNA pol II carboxyl-terminal domain (CTD) at several serine residues, creating transcription elongation. The upregulation of the kinase contributes to tumor growth and cell proliferation, and is highly associated with various cancers, including skin, stomach, and ovarian. Thus, it can be considered an efficient therapeutic target for the development of drugs against cancer. In this work, a virtual high throughput screening (vHTS) of the ZINC library was carried out to elucidate the initial potent compounds. Further, filters were applied to identify the hit compounds among the ∼90,000 compound library. Based on the docking scores and binding affinity, the top 100 hits were elucidated, and they were further narrowed down to 50 compounds based on ADMET and Lipinski's RO5 filter. Finally, 10 compounds were chosen that showed appreciable biological activity. Among them, ZINC02136558 was selected as a potent lead compound that showed strong interaction with the amino acid residues of active and binding sites of CDK13. Furthermore, the all-atom molecular dynamic simulation was performed at 200 ns to explore the dynamic evolution of the system. Finally, the results showed that the ZINC02136558 may be considered as a potential lead molecule to inhibit CDK13 and implicated in therapeutic management of cancer and associated diseases.","PeriodicalId":16962,"journal":{"name":"Journal of Receptors and Signal Transduction","volume":" ","pages":"140-150"},"PeriodicalIF":2.6,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142693161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0