Network pharmacology-driven investigation of luteolin from Annona muricata as a promising multi-target inhibitor for pancreatic cancer Article Swipe
Shalini Mathpal
,
P. Priyamvada
,
Gayathri Ashok
,
Tushar Joshi
,
Debashis Saha
,
Anindo Mukherjee
,
Bijon Kumar Roy
,
Sudha Ramaiah
,
Anand Anbarasu
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1016/j.rechem.2025.102506
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1016/j.rechem.2025.102506
Pancreatic cancer is a complex and heterogeneous malignancy ranking among the deadliest cancers. The late-stage diagnosis often limits treatment options and reduces survival rates. In recent years, Annona muricata (A. muricata) has emerged as a promising source of natural compounds exhibiting potential anticancer activity. This study utilizes an integrative network pharmacology approach to uncover the molecular mechanisms responsible for the therapeutic efficacy of A. muricata in Pancreatic cancer treatment. A total of 139 phytochemicals from A. muricata were screened for drug-likeness and pharmacokinetic (ADMET) properties, leading to the selection of 15 compounds with optimal profiles. Potential compound-related targets were identified using SwissTargetPrediction, while Pancreatic cancer-associated genes were retrieved from the DisGeNET database (DSI > 0.6). The interactome was generated by constructing a protein-protein interaction (PPI) network utilizing the STRING database and analyzed in Cytoscape, revealing four key hub genes: AKT1, EGFR, MMP9, and SRC. Molecular docking studies identified luteolin and kaempferol as the most effective compounds, exhibiting strong binding affinities across the hub targets, with luteolin demonstrating the lowest binding energies. These findings were further validated through 500 ns molecular dynamics (MD) simulations (in triplicate) confirmed the stability and compactness of the luteolin-target complexes. MM-PBSA binding free energy calculations supported these interactions, with favorable ΔG values of −27.35kcal/mol, −25.04kcal/mol, −32.89kcal/mol, and −29.12kcal/mol for AKT1, EGFR, MMP9, and SRC, respectively. This study highlights the multi-target potential of A. muricata phytochemicals, particularly luteolin, in inhibiting key signaling pathways of pancreatic cancer progression, paving the way for experimental validation and phytochemical-based therapies.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1016/j.rechem.2025.102506
- OA Status
- gold
- References
- 56
- Related Works
- 10
- OpenAlex ID
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All OpenAlex metadata
Raw OpenAlex JSON
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https://openalex.org/W4412440485Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1016/j.rechem.2025.102506Digital Object Identifier
- Title
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Network pharmacology-driven investigation of luteolin from Annona muricata as a promising multi-target inhibitor for pancreatic cancerWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2025Year of publication
- Publication date
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2025-07-01Full publication date if available
- Authors
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Shalini Mathpal, P. Priyamvada, Gayathri Ashok, Tushar Joshi, Debashis Saha, Anindo Mukherjee, Bijon Kumar Roy, Sudha Ramaiah, Anand AnbarasuList of authors in order
- Landing page
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https://doi.org/10.1016/j.rechem.2025.102506Publisher landing page
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://doi.org/10.1016/j.rechem.2025.102506Direct OA link when available
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Annona muricata, Luteolin, Pancreatic cancer, Cancer, Traditional medicine, Pharmacology, Medicine, Computational biology, Biology, Internal medicine, Flavonoid, Biochemistry, AntioxidantTop concepts (fields/topics) attached by OpenAlex
- Cited by
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0Total citation count in OpenAlex
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56Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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| referenced_works | https://openalex.org/W3091397028, https://openalex.org/W2158734599, https://openalex.org/W3119005666, https://openalex.org/W3042568371, https://openalex.org/W4244578979, https://openalex.org/W3162949857, https://openalex.org/W2581973599, https://openalex.org/W2288995881, https://openalex.org/W2151253787, https://openalex.org/W2082636073, https://openalex.org/W1589548587, https://openalex.org/W4410378085, https://openalex.org/W4404028303, https://openalex.org/W2982666137, https://openalex.org/W2069803233, https://openalex.org/W2114767396, https://openalex.org/W2172164746, https://openalex.org/W1999434351, https://openalex.org/W2015686984, https://openalex.org/W6684064136, https://openalex.org/W2131311561, https://openalex.org/W4237095724, https://openalex.org/W4292223431, https://openalex.org/W4310241516, https://openalex.org/W2593436234, https://openalex.org/W4395010444, https://openalex.org/W2946412700, https://openalex.org/W3137483948, https://openalex.org/W2131347449, https://openalex.org/W2537679995, https://openalex.org/W6869210665, https://openalex.org/W4308834893, https://openalex.org/W4206965224, https://openalex.org/W3198353179, https://openalex.org/W2070753604, https://openalex.org/W4400423797, https://openalex.org/W4402487315, https://openalex.org/W3202287440, https://openalex.org/W2147670638, https://openalex.org/W3139534660, https://openalex.org/W2077478539, https://openalex.org/W2037524894, https://openalex.org/W2015543753, https://openalex.org/W2081475812, https://openalex.org/W2104662829, https://openalex.org/W1977072117, https://openalex.org/W2081239048, https://openalex.org/W2143327951, https://openalex.org/W2167355903, https://openalex.org/W2796314769, https://openalex.org/W4319160736, https://openalex.org/W2800652507, https://openalex.org/W3133714607, https://openalex.org/W1968162068, https://openalex.org/W2163166900, https://openalex.org/W4399019764 |
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