Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation

Deregulation of NEK2(NIMA-related serine/threonine 2) confers chemotherapeutic resistance to apoptosis and is closely correlated with poor prognosis in hepatocellular carcinoma (HCC). Here, we find that nanoparticles are prepared through hemisynthesis from natural nitidine chloride (NC) with enhance...

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Autores principales: Li, Danni, Lu, Jiahao, Zhang, Qiying, Zhou, Yuzhu, Li, Long, Zhu, Hua, Li, Tong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549606/
https://www.ncbi.nlm.nih.gov/pubmed/36210464
http://dx.doi.org/10.1186/s13065-022-00870-6
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author Li, Danni
Lu, Jiahao
Zhang, Qiying
Zhou, Yuzhu
Li, Long
Zhu, Hua
Li, Tong
author_facet Li, Danni
Lu, Jiahao
Zhang, Qiying
Zhou, Yuzhu
Li, Long
Zhu, Hua
Li, Tong
author_sort Li, Danni
collection PubMed
description Deregulation of NEK2(NIMA-related serine/threonine 2) confers chemotherapeutic resistance to apoptosis and is closely correlated with poor prognosis in hepatocellular carcinoma (HCC). Here, we find that nanoparticles are prepared through hemisynthesis from natural nitidine chloride (NC) with enhanced antitumor activity. Nitidine chloride nanoparticle (TPGS-FA/NC) treatment show good therapy effect in Li-7 hepatocellular carcinoma cells. Additionally, molecular docking technologies are aimed at NEK2 protein (PDB ID: 6SGD) to analyze the detailed binding interactions with the potent target. NC participates in interactions with Asp159 residue. These studies advance the understanding of the modification of nitidine chloride substituent and provide useful drug design information for liver cancer treatment.
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spelling pubmed-95496062022-10-11 Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation Li, Danni Lu, Jiahao Zhang, Qiying Zhou, Yuzhu Li, Long Zhu, Hua Li, Tong BMC Chem Research Deregulation of NEK2(NIMA-related serine/threonine 2) confers chemotherapeutic resistance to apoptosis and is closely correlated with poor prognosis in hepatocellular carcinoma (HCC). Here, we find that nanoparticles are prepared through hemisynthesis from natural nitidine chloride (NC) with enhanced antitumor activity. Nitidine chloride nanoparticle (TPGS-FA/NC) treatment show good therapy effect in Li-7 hepatocellular carcinoma cells. Additionally, molecular docking technologies are aimed at NEK2 protein (PDB ID: 6SGD) to analyze the detailed binding interactions with the potent target. NC participates in interactions with Asp159 residue. These studies advance the understanding of the modification of nitidine chloride substituent and provide useful drug design information for liver cancer treatment. Springer International Publishing 2022-10-09 /pmc/articles/PMC9549606/ /pubmed/36210464 http://dx.doi.org/10.1186/s13065-022-00870-6 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Research
Li, Danni
Lu, Jiahao
Zhang, Qiying
Zhou, Yuzhu
Li, Long
Zhu, Hua
Li, Tong
Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title_full Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title_fullStr Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title_full_unstemmed Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title_short Insights into an NEk2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
title_sort insights into an nek2 inhibitory profile of nitidine chloride by molecular docking and biological evaluation
topic Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9549606/
https://www.ncbi.nlm.nih.gov/pubmed/36210464
http://dx.doi.org/10.1186/s13065-022-00870-6
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