与细胞质聚腺苷化元件结合蛋白相互作用的小配体的挖掘

IF 0.2 Q4 PHARMACOLOGY & PHARMACY Asian Journal of Pharmaceutical Research and Health Care Pub Date : 2023-04-01 DOI:10.4103/ajprhc.ajprhc_29_23
R. Yadav
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引用次数: 0

摘要

胞浆多聚腺苷化元件结合蛋白4 (CPEB 4)是CPEB蛋白家族成员,参与调控mrna的转录后表达。这些蛋白通过与基因的胞质多聚腺苷化元件在其未翻译区与UUUUUAU的保护位点结合而起作用。CPEB 4蛋白通过翻译激活或多聚腺苷化事件的抑制过程来调节基因表达。cpeb4基因的过表达已在胃癌、神经细胞癌和胰腺癌等几种癌症中得到报道。CPEB 4有时会像致癌基因一样,导致不同类型的癌症。目前的研究对CPEB - 4蛋白进行了详细的研究。从PDB数据库中检索CPEB 4蛋白结构,PDB ID: 5DIF,通过文献调查、化学数据库等选择共25个配体,进行分子相互作用研究,采用对接方法。利用薛定谔软件进行滑翔对接,并对对接结果进行分析。结果表明,2-(2,4-二羟基苯基)-3,5,7-三羟基铬-4-one (PubChem ID: 5281670)配体与CPEB 4蛋白在Lys(a: 924)、Gly(B: 791)、Asn(a: 879)和Thr(a: 878)位点上具有稳定的相互作用,Glide评分为−8.26。这些发现可以帮助建立合适的配体来对抗导致几种癌症的CPEB 4蛋白。
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Mining of small interacting ligands with cytoplasmic polyadenylation element-binding protein 4
Cytoplasmic polyadenylation element-binding protein 4 (CPEB 4) is a family member of CPEB proteins that are involved in regulating posttranscriptional expression of mRNAs. These proteins act by binding to cytoplasmic polyadenylation element of genes at their untranslated region with the conservation site of UUUUUAU. CPEB 4 proteins are responsible for modulating gene expression by the process of translational activation or repression by polyadenylation event. Overexpression of CPEB 4 gene has been reported in several classes of cancer such as gastric cancer, neuronal cancer, and pancreatic cancer. CPEB 4 sometimes acts like oncogene and can cause different types of cancer. CPEB 4 protein has been studied in detail in the current research. CPEB 4 protein structure was retrieved from the PDB database with PDB ID: 5DIF and total of 25 ligands were selected through a literature survey, chemical databases, etc., to perform molecular interaction study, docking method was used. Glide docking was done using Schrodinger software, and results were analyzed. Result shows that 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one (PubChem ID: 5281670) ligand has stable interaction with a Glide score of −8.26 and shows bonds with CPEB 4 protein at positions Lys(A: 924), Gly(B: 791), Asn(A: 879), and Thr(A: 878). These findings can help in modeling suitable ligands against the CPEB 4 protein responsible for several types of cancers.
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