TMR药理学研究Pub Date : 2023-01-01DOI: 10.53388/pr202303006
Jian-lin Yang, Yi-Han Hong, Junfeng Xie, H. Mao, Shi-Nuan Fei
{"title":"Exploring the anti-cancer effect of taraxasterol using network pharmacology, molecular docking and in vitro experimental validation","authors":"Jian-lin Yang, Yi-Han Hong, Junfeng Xie, H. Mao, Shi-Nuan Fei","doi":"10.53388/pr202303006","DOIUrl":"https://doi.org/10.53388/pr202303006","url":null,"abstract":"Taraxasterol (TS) is a naturally occurring pentacyclic triterpenoid extracted from the traditional Chinese herb Taraxacum mongolicum . Previous studies have highlighted its significant roles in exhibiting anti-inflammatory, anti-oxidant, and liver protective effects. In the present study, the anti-cancer potential of TS against cervical cancer was investigated, employing network pharmacology techniques, molecular docking, and in vitro experimental validation. TS exhibits its anticancer properties by modulating multiple targets, pathways, and biological processes. In vitro experiments demonstrated the potent inhibitory effects of TS on cancer cell growth and migration, while no significant impact on apoptosis was observed. The primary objective was to elucidate the anti-cancer potential of TS, which is a crucial lead compound in the treatment of cervical cancer. The findings may serve as a basis for the development of novel anticancer therapeutics and medicine-based interventions for cervical cancer.","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70818739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2023-01-01DOI: 10.53388/pr202303011
Domina Petric
{"title":"Verapamil: a promising therapeutic option in diabetes mellitus type 1?","authors":"Domina Petric","doi":"10.53388/pr202303011","DOIUrl":"https://doi.org/10.53388/pr202303011","url":null,"abstract":"Type 1A diabetes mellitus (DMT1 in the following text) is caused by the autoimmune destruction of the insulin-producing beta cells in the islets of Langerhans [1, 2]. This destruction is determined by genetic susceptibility, such as the presence of HLA-DQalpha, HLA-DQbeta, HLA-DR, preproinsulin, PTPN22 gene, CTLA-4, interferon-induced helicase, IL2 receptor (CD25), lectin-like gene (KIAA0035), and ERBB3e [3–8]. It is usually triggered by environmental agents, such as perinatal factors (maternal age over 25 years, preeclampsia, neonatal respiratory disease, and jaundice), viruses (Coxsackie virus, enteroviruses), dietary factors (cow’s milk), exposure to nitrates, and treatment with checkpoint inhibitors [9–14]. Despite significant improvements in insulin therapy, DMT1 remains a therapeutic challenge. Therefore, the slowing down of pancreatic beta cell (PβC) loss may be of great value. With that said, the author summarizes the available evidence on such therapeutic options.","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70818703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2022-01-01DOI: 10.53388/pr202202018
G. Zheng
{"title":"Comment on “Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Cav channels”","authors":"G. Zheng","doi":"10.53388/pr202202018","DOIUrl":"https://doi.org/10.53388/pr202202018","url":null,"abstract":"","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70818287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2022-01-01DOI: 10.53388/pr202202007
Dan Wang, Jian-bin Xu, Zhengdong Shen, Yun Du, Yuelan Zhu
{"title":"Mechanism of Bushen Tongluo granule on osteoarthritis based on network pharmacology and molecular docking technology","authors":"Dan Wang, Jian-bin Xu, Zhengdong Shen, Yun Du, Yuelan Zhu","doi":"10.53388/pr202202007","DOIUrl":"https://doi.org/10.53388/pr202202007","url":null,"abstract":"","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"37 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70816929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2022-01-01DOI: 10.53388/pr202202011
Dnyaneshwar Nirmale, S. S
{"title":"Insight into the interaction of human pancreatic lipase with potential anti-obesity drug, Cetilistat, using a molecular docking and molecular dynamics simulation","authors":"Dnyaneshwar Nirmale, S. S","doi":"10.53388/pr202202011","DOIUrl":"https://doi.org/10.53388/pr202202011","url":null,"abstract":"Background: Obesity is a lifestyle disease that involves an excessive amount of body fat deposition. Cetilistat is being used to treat obesity. It mainly inhibits human pancreatic lipase, an enzyme that helps to break down the oil into small molecules of glycerol and fatty acids in the intestine. Therefore, pancreatic lipase inhibition is a potential therapeutic approach for obesity control and treatment. Methods: cetilistat’s binding mode and interaction with human pancreatic lipase are not well understood. In this study, the human pancreatic lipase inhibitory activity of cetilistat was investigated by employing molecular docking and molecular dynamics simulation. Human pancreatic lipase has two states: closed state and open state which is controlled by a surface loop i.e. “lid region” which normally undergoes conformational changes only upon addition of lipids and then breakdown into glycerol and fatty acid. In the present study, open state conformation of the human pancreatic lipase structure was used (2OXE.pdb). The docking study reveals that the cetilistat prefers to bind at the “lid region” of pancreatic lipase. Furthermore, molecular dynamics simulation reveals that the cetilistat affects the structure and dynamics of human pancreatic lipase. Mainly, cetilistat affects the conformational changes in the “lid region” of pancreatic lipase which is important for the breakdown of lipids. Furthermore, the radius of gyration (Rg) and solvent-accessible surface area shows that the cetilistat-bound pancreatic lipase affects the compactness of the lipase structure. Thus, our computational modeling study reveals the inhibitory action of cetilistat with human pancreatic lipase and may be further useful for the design and development of anti-obesity drugs. Results: To explore the binding mode and interaction of HPL with cetilistat, we employed molecular docking, a molecular dynamics simulation study. The details of which are discussed below. Conclusion: Thus, our computational modeling study reveals the inhibitory action of cetilistat with human pancreatic lipase and may be further useful for the design and development of anti-obesity drugs.","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70818373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2022-01-01DOI: 10.53388/pr202202003
Yuejie Yang, Cui Zhang, Mengmeng Cui, Yanmei Zong, Li Wang, Ying Li
{"title":"Treatment of acute lung injury in mice using Bai-Ri-Ke syrup","authors":"Yuejie Yang, Cui Zhang, Mengmeng Cui, Yanmei Zong, Li Wang, Ying Li","doi":"10.53388/pr202202003","DOIUrl":"https://doi.org/10.53388/pr202202003","url":null,"abstract":"","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70817082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Application of network pharmacology in uncovering the biological basis of using the Banxia Baizhu Tianma decoction for hypertension treatment","authors":"Yong-yu Yang, Jiaru Wang, Ruizhu Jiang, Yang Zheng, Tiejian Zhao, Ying Zhang","doi":"10.53388/pr202202020","DOIUrl":"https://doi.org/10.53388/pr202202020","url":null,"abstract":"","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70817989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
TMR药理学研究Pub Date : 2022-01-01DOI: 10.53388/pr202202010
N. Minocha, Sangita Saini, P. Pandey
{"title":"Design of experiments: how to develop and optimize drug delivery systems","authors":"N. Minocha, Sangita Saini, P. Pandey","doi":"10.53388/pr202202010","DOIUrl":"https://doi.org/10.53388/pr202202010","url":null,"abstract":"","PeriodicalId":69244,"journal":{"name":"TMR药理学研究","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70818227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}