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Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis
Author: Fan, Liming; Feng, Shuai; Wang, Ting; Ding, Xinli; An, Xinxin; Wang, Zhen; Zhou, Kun; Wang, Minjuan; Zhai, Xifeng; Li, Yang
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 81-102. DOI: 10.1007/s11030-022-10415-7
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An in silico and in vitro integrated analysis method to reveal the curative mechanisms and pharmacodynamic substances of Bufei granule on chronic obstructive pulmonary disease
Author: Ma, Yuan-yuan; Li, Rong; Shang, Zhi-xian; Liu, Wei; Jiao, Xin-yi; Liang, Liu-yi; Liu, Rui; Li, Zheng
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 103-123. DOI: 10.1007/s11030-022-10404-w
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NaH-promoted one-pot synthesis of 5-amidoimidazoles from arylamines, carbon disulfide and isocyanides
Author: Luo, Jie; Zhang, Yichan; Yan, Qiuxia; Yang, Guo; Zhang, Yaohong; Wang, Hai
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 135-143. DOI: 10.1007/s11030-022-10413-9
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Novel (Z)/(E)-1,2,4-triazole derivatives containing oxime ether moiety as potential ergosterol biosynthesis inhibitors: design, preparation, antifungal evaluation, and molecular docking
Author: Sun, Shengxin; Yan, Jinghua; Tai, Lang; Chai, Jianqi; Hu, Haoran; Han, Ling; Lu, Aimin; Yang, Chunlong; Chen, Min
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 145-157. DOI: 10.1007/s11030-022-10412-w
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Design, synthesis, and biological evaluation of 4-(1H-1,2,3-triazol-1-yl)benzamides as HSP90 inhibitors
Author: He, Tingting; Zhu, Shulei; Lu, Wei
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 239-248. DOI: 10.1007/s11030-022-10423-7
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Insight into potent TLR2 inhibitors for the treatment of disease caused by Mycoplasma pneumoniae based on machine learning approaches
Author: Ishfaq, Muhammad; Rahman, Ziaur; Aamir, Muhammad; Ali, Ihsan; Guan, Yurong; Hu, Zhihua
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 1, pp. 371-387. DOI: 10.1007/s11030-022-10433-5
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Repositioning of experimentally validated anti-breast cancer peptides to target FAK-PAX complex to halt the breast cancer progression: a biomolecular simulation approach
Author: Khan, Abbas; Shan, Shengzhou; Toor, Tayyba Fatima; Suleman, Muhammad; Wang, Yanjing; Zhou, Jia; Wei, Dong-Qing
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 2, pp. 603-618. DOI: 10.1007/s11030-022-10438-0
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Design and synthesis of novel 2,2-dimethylchromene derivatives as potential antifungal agents
Author: Li, Yong; Luo, Bilan; Luo, Zhongfu; Ma, Taigui; Fan, Lingling; Liu, Wenjing; Fan, Judi; Guo, Bing; Xue, Wei; Tang, Lei
Journal: MOLECULAR DIVERSITY. 2023; Vol. 27, Issue 2, pp. 589-601. DOI: 10.1007/s11030-022-10421-9
