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藻蓝蛋白与血管内皮生长因子受体2的分子对接分析

Molecular docking analysis of C-phycocyanin with VEGFR2.

作者信息

Bannu Saira M, Lomada Dakshayani, Varala Sravani, Reddy Madhava C

机构信息

Department of Biotechnology and Bioinformatics, Yogi Vemana University, Kadapa AP 516005, India.

Department of Genetics and Genomics, Yogi Vemana University, Kadapa, AP 516005, India.

出版信息

Bioinformation. 2020 Nov 30;16(11):869-877. doi: 10.6026/97320630016869. eCollection 2020.

DOI:10.6026/97320630016869
PMID:34803261
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8573453/
Abstract

C-phycocyanin (C-PC) produced from cyanobacterial species finds application in drug development. Therefore, it is of interest to document the molecular binding features of C-PC with the vascular endothelial growth factor receptor 2 (VEGFR2). C-PC showed H-bond interactions with residues on both sides of the Deusche Forschugsgemein-Schalt (DFG) loop (Asp1046-Phe1047-Gly1048). A hydrophobic association between the activation loop and the DFG residue (Gly1048) helps to inhibit the activity of VEGFR2 kinases. Thus, C-PC is reported as a potential angiogenesis inhibitor for VEGFR2 in combating cancer.

摘要

从蓝藻物种中提取的藻蓝蛋白(C-PC)在药物开发中得到应用。因此,记录C-PC与血管内皮生长因子受体2(VEGFR2)的分子结合特征具有重要意义。C-PC与德意志研究联合会开关(DFG)环(Asp1046-Phe1047-Gly1048)两侧的残基形成氢键相互作用。激活环与DFG残基(Gly1048)之间的疏水缔合有助于抑制VEGFR2激酶的活性。因此,据报道C-PC在对抗癌症方面是一种潜在的VEGFR2血管生成抑制剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/e8ff35fa9a05/97320630016869F7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/c42121213fd6/97320630016869F1.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/da2c56d7c2da/97320630016869F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/7e8d639816ef/97320630016869F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/31dff23929e4/97320630016869F5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/048b1f2873aa/97320630016869F6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/e8ff35fa9a05/97320630016869F7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/c42121213fd6/97320630016869F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/e0466561bac0/97320630016869F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/da2c56d7c2da/97320630016869F3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/7e8d639816ef/97320630016869F4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/31dff23929e4/97320630016869F5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/048b1f2873aa/97320630016869F6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c04/8573453/e8ff35fa9a05/97320630016869F7.jpg

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