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Evaluating the inhibitory efficacy of Oxalis phytocompounds on monoamine oxidase B: An integrated approach targeting age related neurodegenerative diseases through molecular docking and dynamics simulations.

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Title: Evaluating the inhibitory efficacy of Oxalis phytocompounds on monoamine oxidase B: An integrated approach targeting age related neurodegenerative diseases through molecular docking and dynamics simulations.
Authors: Shrestha RLS; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal., M C S; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Tamang A; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Poudel M; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Department of Biotechnology, National College, Lainchaur, Kathmandu, Nepal., Parajuli N; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Shrestha A; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Shrestha T; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Bharati S; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Maharjan B; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal., Marasini BP; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal.; Nepal Health Research Council, Ministry of Health and Population, Ramshah Path, Kathmandu, Nepal., Adhikari Subin J; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Bioinformatics and Cheminformatics Division, Scientific Research and Training Nepal P. Ltd., Bhaktapur, Nepal.
Source: PloS one [PLoS One] 2025 Jul 30; Vol. 20 (7), pp. e0329168. Date of Electronic Publication: 2025 Jul 30 (Print Publication: 2025).
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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  Data: <searchLink fieldCode="AU" term="%22Shrestha+RLS%22">Shrestha RLS</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22M+C+S%22">M C S</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Tamang+A%22">Tamang A</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Poudel+M%22">Poudel M</searchLink>; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Department of Biotechnology, National College, Lainchaur, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Parajuli+N%22">Parajuli N</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Shrestha+A%22">Shrestha A</searchLink>; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Shrestha+T%22">Shrestha T</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Bharati+S%22">Bharati S</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Maharjan+B%22">Maharjan B</searchLink>; Department of Chemistry, Amrit Campus, Tribhuvan University, Lainchaur, Kathmandu, Nepal.; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Marasini+BP%22">Marasini BP</searchLink>; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Institute of Natural Resources Innovation, Kalimati, Kathmandu, Nepal.; Nepal Health Research Council, Ministry of Health and Population, Ramshah Path, Kathmandu, Nepal.<br /><searchLink fieldCode="AU" term="%22Adhikari+Subin+J%22">Adhikari Subin J</searchLink>; Kathmandu Valley College, Kalanki, Kathmandu, Nepal.; Bioinformatics and Cheminformatics Division, Scientific Research and Training Nepal P. Ltd., Bhaktapur, Nepal.
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