Computational validation and network pharmacology reveal the cardioprotective and hypolipidemic potential of Arisaema Jacquemontii Blume via molecular docking, metadynamics, DFT, and MM/PBSA analyses.

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Title: Computational validation and network pharmacology reveal the cardioprotective and hypolipidemic potential of Arisaema Jacquemontii Blume via molecular docking, metadynamics, DFT, and MM/PBSA analyses.
Authors: Shah M; Department of Bio-Sciences, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India., Arumugam S; Department of Bio-Sciences, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India.
Source: Frontiers in bioinformatics [Front Bioinform] 2026 Jun 12; Vol. 6, pp. 1856040. Date of Electronic Publication: 2026 Jun 12 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Frontiers Media S.A Country of Publication: Switzerland NLM ID: 9918227263306676 Publication Model: eCollection Cited Medium: Internet ISSN: 2673-7647 (Electronic) Linking ISSN: 26737647 NLM ISO Abbreviation: Front Bioinform Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Computational validation and network pharmacology reveal the cardioprotective and hypolipidemic potential of Arisaema Jacquemontii Blume via molecular docking, metadynamics, DFT, and MM/PBSA analyses.
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  Data: <searchLink fieldCode="AU" term="%22Shah+M%22">Shah M</searchLink>; Department of Bio-Sciences, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India.<br /><searchLink fieldCode="AU" term="%22Arumugam+S%22">Arumugam S</searchLink>; Department of Bio-Sciences, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India.
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  Data: <searchLink fieldCode="JN" term="%229918227263306676%22">Frontiers in bioinformatics</searchLink> [Front Bioinform] 2026 Jun 12; Vol. 6, pp. 1856040. <i>Date of Electronic Publication: </i>2026 Jun 12 (<i>Print Publication: </i>2026).
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        Value: 10.3389/fbinf.2026.1856040
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      – TitleFull: Computational validation and network pharmacology reveal the cardioprotective and hypolipidemic potential of Arisaema Jacquemontii Blume via molecular docking, metadynamics, DFT, and MM/PBSA analyses.
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              Text: 2026 Jun 12
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