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Journals / Turkish Computational and Theoretical Chemistry / 2025 / Volume: 9 Issue: 5 Special Issue

Integrated Pharmacological Profiling of Hymenocallis littoralis: Anti-Inflammatory Activity, Drug-Likeness and Molecular Target Analysis

Aruna Kumari Dokkada(Vignan Institute of Pharmaceutical Technology)0000-0001-8167-6456
Kanaka Raju Addipalli(Vignan Institute of Pharmaceutical Technology)0000-0003-0663-8825
Vasudha Dadi(Vignan Institute of Pharmaceutical Technology)0000-0003-3862-0590
Pages
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Publication Date
2025-12-26
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AI Summary & Key Takeaways

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⚡ TL;DR(Too Long; Didn't Read)

These findings collectively indicate that Hymenocallis littoralis, particularly its ethyl acetate fraction, holds substantial therapeutic potential for inflammation management and related disorders

📌 3 Key Takeaways

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Objective & Hypothesis:The present study explores the phytochemical and biological potential of Hymenocallis littoralis, combining computational and laboratory investigations.
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Key Findings & Data:Network pharmacology analyses using KEGG Pathway and Cytoscape identified HSP90AA1, HIF1A, and HSP90AB1 as highly interacting proteins with the selected compounds, with HIF1A recognized as a critical inflammation-related target.
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Conclusion & Impact:These findings collectively indicate that Hymenocallis littoralis, particularly its ethyl acetate fraction, holds substantial therapeutic potential for inflammation management and related disorders
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Hymenocallis littoralis · Anti-Inflammatory activity · Network Pharmacology

Abstract

The present study explores the phytochemical and biological potential of Hymenocallis littoralis, combining computational and laboratory investigations. Phytochemical analysis confirmed the presence of alkaloids, glycosides, tannins, flavonoids, steroids, and phenolic compounds as key bioactive constituents. SWISSADMET predictions revealed that all twelve selected compounds exhibit favorable pharmacokinetic properties, adhering to Lipinski’s Rule of Five and demonstrating high gastrointestinal solubility. Network pharmacology analyses using KEGG Pathway and Cytoscape identified HSP90AA1, HIF1A, and HSP90AB1 as highly interacting proteins with the selected compounds, with HIF1A recognized as a critical inflammation-related target. Molecular docking studies highlighted Quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside (-10.3 kcal/mol) and Hippeastrine (-9.9 kcal/mol) as potent inhibitors of the inflammatory target protein 4BQG. In vitro evaluations demonstrated significant anti-inflammatory activity of the ethyl acetate fraction of Hymenocallis littoralis. These findings collectively indicate that Hymenocallis littoralis, particularly its ethyl acetate fraction, holds substantial therapeutic potential for inflammation management and related disorders

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Cite This Article

Dokkada, A. K., Addipalli, K. R., Dadi, V. (2025). Integrated Pharmacological Profiling of Hymenocallis littoralis: Anti-Inflammatory Activity, Drug-Likeness and Molecular Target Analysis. Turkish Computational and Theoretical Chemistry, Volume: 9 Issue: 5 Special Issue. https://doi.org/10.33435/tcandtc.1702524

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