ELUCIDATING THE ROLE OF AJMODA (APIUM GRAVEOLENS LINN) IN ISCHEMIC HEART DISEASE THROUGH NETWORK PHARMACOLOGY AND MOLECULAR DOCKING ANALYSIS

A substantial amount of research suggests that ajmoda (Apium graveolens Linn) possesses anti-oxidant, anti-platelet, hypolipidemic, anti-inflammatory, antihypertensive and cardiotonic properties. These positive characteristics predispose this plant for use as a medicament for cardiovascular diseases such as ischemic heart disease. However, to gain a comprehensive understanding of how the several phytoconstituents found in ajmoda interact to create therapeutic effects on IHD, network pharmacology and molecular docking technology were employed. 38 IHD-intersecting genes and 26 active ajmoda phytoconstituents were listed through data mining and taken up further for network pharmacology analysis. Based on this, we identified four core compounds—apigenin, chrysoeriol, luteolin and quercetin—and three core targets—EGFR, FABP4, and GSK-3beta. Next, we carried out a common-target enrichment analysis. The KEGG enrichment results showed that the primary modulated pathways were PPARA signalling, PI3K-AKT signalling, and EGFR tyrosine kinase inhibitor resistance. The molecular docking analysis revealed that four core compounds from ajmoda, namely quercetin, luteolin, apigenin and chrysoeriol, showed good interaction with the active sites of core targets EGFR, GSK3B, and FABP4, exhibiting good docking scores. This study uncovers the molecular and pharmacological mechanisms of ajmoda against ischemic heart disease. Furthermore, the research offers a theoretical foundation for additional investigation into ajmoda’s pharmacological targets and mechanisms.

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Publication Details

Journal
INDIAN DRUGS
Published
2024-11-28
DOI
https://doi.org/10.53879/id.61.11.14795
Primary Topic
Computational Drug Discovery Methods
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article
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article

ELUCIDATING THE ROLE OF AJMODA (APIUM GRAVEOLENS LINN) IN ISCHEMIC HEART DISEASE THROUGH NETWORK PHARMACOLOGY AND MOLECULAR DOCKING ANALYSIS

Divya Khare, Pooja Kumari, Jackulin J. Peraira
INDIAN DRUGS
Computational Drug Discovery Methods
article

ELUCIDATING THE ROLE OF AJMODA (APIUM GRAVEOLENS LINN) IN ISCHEMIC HEART DISEASE THROUGH NETWORK PHARMACOLOGY AND MOLECULAR DOCKING ANALYSIS

Divya Khare, Pooja Kumari, Jackulin J. Peraira
article en

Abstract

A substantial amount of research suggests that ajmoda (Apium graveolens Linn) possesses anti-oxidant, anti-platelet, hypolipidemic, anti-inflammatory, antihypertensive and cardiotonic properties. These positive characteristics predispose this plant for use as a medicament for cardiovascular diseases such as ischemic heart disease. However, to gain a comprehensive understanding of how the several phytoconstituents found in ajmoda interact to create therapeutic effects on IHD, network pharmacology and molecular docking technology were employed. 38 IHD-intersecting genes and 26 active ajmoda phytoconstituents were listed through data mining and taken up further for network pharmacology analysis. Based on this, we identified four core compounds—apigenin, chrysoeriol, luteolin and quercetin—and three core targets—EGFR, FABP4, and GSK-3beta. Next, we carried out a common-target enrichment analysis. The KEGG enrichment results showed that the primary modulated pathways were PPARA signalling, PI3K-AKT signalling, and EGFR tyrosine kinase inhibitor resistance. The molecular docking analysis revealed that four core compounds from ajmoda, namely quercetin, luteolin, apigenin and chrysoeriol, showed good interaction with the active sites of core targets EGFR, GSK3B, and FABP4, exhibiting good docking scores. This study uncovers the molecular and pharmacological mechanisms of ajmoda against ischemic heart disease. Furthermore, the research offers a theoretical foundation for additional investigation into ajmoda’s pharmacological targets and mechanisms.

INDIAN DRUGSVol. 61(11)
Good health and well-being
Openalex Percentile: Top 71%
Computational Drug Discovery Methods
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