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Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia

Oligoasthenozoospermia (OA) is one of the most common types of male infertility affecting sperm count and sperm motility. Unfortunately, it is difficult for existing drugs to fundamentally improve the sperm quality of OA patients, because the pathological mechanism of OA has not been fully elucidate...

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Autores principales: Bai, Xue, Tang, Yibo, Li, Qiang, Chen, Yafei, Liu, Dan, Liu, Guimin, Fan, Xiaolei, Ma, Ru, Wang, Shuyan, Li, Lingru, Zhou, Kailin, Zheng, Yanfei, Liu, Zhenquan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7838196/
https://www.ncbi.nlm.nih.gov/pubmed/33500463
http://dx.doi.org/10.1038/s41598-020-80780-6
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author Bai, Xue
Tang, Yibo
Li, Qiang
Chen, Yafei
Liu, Dan
Liu, Guimin
Fan, Xiaolei
Ma, Ru
Wang, Shuyan
Li, Lingru
Zhou, Kailin
Zheng, Yanfei
Liu, Zhenquan
author_facet Bai, Xue
Tang, Yibo
Li, Qiang
Chen, Yafei
Liu, Dan
Liu, Guimin
Fan, Xiaolei
Ma, Ru
Wang, Shuyan
Li, Lingru
Zhou, Kailin
Zheng, Yanfei
Liu, Zhenquan
author_sort Bai, Xue
collection PubMed
description Oligoasthenozoospermia (OA) is one of the most common types of male infertility affecting sperm count and sperm motility. Unfortunately, it is difficult for existing drugs to fundamentally improve the sperm quality of OA patients, because the pathological mechanism of OA has not been fully elucidated yet. Morinda officinalis–Lycium barbarum coupled-herbs (MOLBCH), as traditional Chinese Medicines, has been widely used for treating OA over thousands of years, but its molecular mechanism is still unclear. For this purpose, we adopted a comprehensive approach integrated network pharmacology and molecular docking to reveal the bioactive components and potential targets of MOLBCH against OA. The results showed that MOLBCH alleviated apoptosis, promoted male reproductive function, and reduced oxidant stress in the treatment of OA. Ohioensin-A, quercetin, beta-sitosterol and sitosterol were the key bioactive components. Androgen receptor (AR), Estrogen receptor (ESR1), Mitogen-activated protein kinase 3 (MAPK3), RAC-alpha serine/threonine-protein kinase (AKT1), Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) were the core potential targets. PI3K/Akt signaling pathway, prostate cancer, AGE-RAGE signaling pathway in diabetic complications were the most representative pathways. Moreover, molecular docking was performed to validate the strong binding interactions between the obtained core components and targets. These observations provide deeper insight into the pathogenesis of OA and can be used to design new drugs and develop new therapeutic instructions to treat OA.
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spelling pubmed-78381962021-01-27 Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia Bai, Xue Tang, Yibo Li, Qiang Chen, Yafei Liu, Dan Liu, Guimin Fan, Xiaolei Ma, Ru Wang, Shuyan Li, Lingru Zhou, Kailin Zheng, Yanfei Liu, Zhenquan Sci Rep Article Oligoasthenozoospermia (OA) is one of the most common types of male infertility affecting sperm count and sperm motility. Unfortunately, it is difficult for existing drugs to fundamentally improve the sperm quality of OA patients, because the pathological mechanism of OA has not been fully elucidated yet. Morinda officinalis–Lycium barbarum coupled-herbs (MOLBCH), as traditional Chinese Medicines, has been widely used for treating OA over thousands of years, but its molecular mechanism is still unclear. For this purpose, we adopted a comprehensive approach integrated network pharmacology and molecular docking to reveal the bioactive components and potential targets of MOLBCH against OA. The results showed that MOLBCH alleviated apoptosis, promoted male reproductive function, and reduced oxidant stress in the treatment of OA. Ohioensin-A, quercetin, beta-sitosterol and sitosterol were the key bioactive components. Androgen receptor (AR), Estrogen receptor (ESR1), Mitogen-activated protein kinase 3 (MAPK3), RAC-alpha serine/threonine-protein kinase (AKT1), Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) were the core potential targets. PI3K/Akt signaling pathway, prostate cancer, AGE-RAGE signaling pathway in diabetic complications were the most representative pathways. Moreover, molecular docking was performed to validate the strong binding interactions between the obtained core components and targets. These observations provide deeper insight into the pathogenesis of OA and can be used to design new drugs and develop new therapeutic instructions to treat OA. Nature Publishing Group UK 2021-01-26 /pmc/articles/PMC7838196/ /pubmed/33500463 http://dx.doi.org/10.1038/s41598-020-80780-6 Text en © The Author(s) 2021 Open Access This 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/.
spellingShingle Article
Bai, Xue
Tang, Yibo
Li, Qiang
Chen, Yafei
Liu, Dan
Liu, Guimin
Fan, Xiaolei
Ma, Ru
Wang, Shuyan
Li, Lingru
Zhou, Kailin
Zheng, Yanfei
Liu, Zhenquan
Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title_full Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title_fullStr Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title_full_unstemmed Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title_short Network pharmacology integrated molecular docking reveals the bioactive components and potential targets of Morinda officinalis–Lycium barbarum coupled-herbs against oligoasthenozoospermia
title_sort network pharmacology integrated molecular docking reveals the bioactive components and potential targets of morinda officinalis–lycium barbarum coupled-herbs against oligoasthenozoospermia
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7838196/
https://www.ncbi.nlm.nih.gov/pubmed/33500463
http://dx.doi.org/10.1038/s41598-020-80780-6
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