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人JAK2与番茄化合物的分子对接分析

Molecular docking analysis of human JAK2 with compounds from tomatoes.

作者信息

Rekha Umapathy Vidhya, Anita M, Bhuminathan S, Sadhana K

机构信息

Department of Public Health Dentistry, Sree Balaji Dental College and Hospital, Pallikaranai, Chennai 600 100, India.

Department of Prosthodontics, Sree Balaji Dental College and Hospital, BIHER, Pallikaranai, Chennai 600 100, India.

出版信息

Bioinformation. 2020 Oct 31;16(10):742-747. doi: 10.6026/97320630016742. eCollection 2020.

DOI:10.6026/97320630016742
PMID:34675459
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8503773/
Abstract

Janus kinase 2 (JAK2) is a tyrosine kinase receptor that belongs to the JAK family kinases is linked to oral cancer. We describe the molecular binding analysis of JAK2 with 23 compounds from tomotoes. Docking data shows five compounds (rutin, qucertin, narigenin, chlrogenia acid & kaempferol) with optimal binding features with JAK2 for further consideration.

摘要

Janus激酶2(JAK2)是一种酪氨酸激酶受体,属于JAK家族激酶,与口腔癌有关。我们描述了JAK2与来自番茄的23种化合物的分子结合分析。对接数据显示有5种化合物(芦丁、槲皮素、柚皮素、绿原酸和山奈酚)与JAK2具有最佳结合特征,值得进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d43/8503773/726ad799a67d/97320630016742F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d43/8503773/726ad799a67d/97320630016742F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d43/8503773/726ad799a67d/97320630016742F1.jpg

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本文引用的文献

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Effect of tobacco on periodontal disease and oral cancer.烟草对牙周病和口腔癌的影响。
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Potential New H1N1 Neuraminidase Inhibitors from Ferulic Acid and Vanillin: Molecular Modelling, Synthesis and in Vitro Assay.潜在的新型 H1N1 神经氨酸酶抑制剂来源于阿魏酸和香草醛:分子模拟、合成和体外检测。
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MPT0B098,一种微管抑制剂,通过调节口腔鳞状细胞癌中SOCS3的稳定性来抑制JAK2/STAT3信号通路。
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