In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations.
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| Title: | In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations. |
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| Authors: | Zhang J; Hubei Provincial Hospital of Traditional Chinese Medicine, Wuhan, Hubei, China.; Hubei Key Laboratory of theory and application research of liver and kidney in traditional Chinese Medicine, Affiliated Hospital of Hubei University of Chinese Medicine, Wuhan, Hubei, China., Zhang B; Hubei Provincial Hospital of Traditional Chinese Medicine, Wuhan, Hubei, China.; Hubei Key Laboratory of theory and application research of liver and kidney in traditional Chinese Medicine, Affiliated Hospital of Hubei University of Chinese Medicine, Wuhan, Hubei, China., Feng H; Hubei Provincial Hospital of Traditional Chinese Medicine, Wuhan, Hubei, China.; Hubei Key Laboratory of theory and application research of liver and kidney in traditional Chinese Medicine, Affiliated Hospital of Hubei University of Chinese Medicine, Wuhan, Hubei, China., Sheng C; Hubei Provincial Hospital of Traditional Chinese Medicine, Wuhan, Hubei, China.; Hubei Key Laboratory of theory and application research of liver and kidney in traditional Chinese Medicine, Affiliated Hospital of Hubei University of Chinese Medicine, Wuhan, Hubei, China. |
| Source: | PloS one [PLoS One] 2026 May 14; Vol. 21 (5), pp. e0346627. Date of Electronic Publication: 2026 May 14 (Print Publication: 2026). |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1932-6203 |
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| DOI: | 10.1371/journal.pone.0346627 |
