Ayesha Chaudary, Sumaira Mehboob, Muhammad Saadat Abbas, Niaz Muhammad

IN VIVO AND NETWORK PHARMACOLOGY BASED MOLECULAR SCREENING OF POTENTIAL COMPOUNDS FROM CASSIA ABSUS SEEDS AGAINST HYPERLIPIDEMIA

Introduction

In vivo and network pharmacology based molecular screening of potential compounds from cassia absus seeds against hyperlipidemia. Discover Cassia absus seeds' anti-hyperlipidemic potential through in vivo studies and network pharmacology. Identifies bioactive compounds for herbal medicine development.

Abstract

Background: Medicinal plants are valuable sources of bioactive chemicals with multi-target effects. Cassia absus, traditionally used to treat various ailments such as conjunctivitis, tumours, and hepatic disorders, was investigated for its anti-hyperlipidemic potential—a major risk factor for hypertension and cardiovascular diseases. Objectives: To prepare C. absus seeds extract in methanol and measure their efficacy against hyperlipidemia in selected rat groups. To identify the bioactive, drug-like compounds using network pharmacology and molecular docking. Methodology: Rats were divided into four groups: control on a normal diet (T0), hyperlipidemic group on a fat-rich diet (T1), atorvastatin-treated group (T2), and seeds extract-treated group (T3). Lipid levels were measured on days 0, 7 and 14. Active compounds in C. absus seeds were identified using databases and screened for drug-likeness by Lipinski's Rule and Swiss ADME. Swiss TargetPrediction, GeneCards and NCBI identified compounds and disease-targeted genes. Compounds-target interacting genes were identified via Venn diagram. Protein-protein interaction created by STRING, DAVID provided functional gene annotations and KEGG Pathways. Compound-target-pathway networks visualized using Cytoscape, with molecular docking predicted binding affinity. Results: The T3 group showed a significant improvement in lipid profile, with a reduction in TC (47.2%), triglycerides (53.4%), LDL (61.7%), and an elevated HDL (51.5%). A study identified six anti-hyperlipidemic compounds, including 4,6-dimethyl mannose, methyl gallate, and syringic acid. Strong binding affinity observed between ALB1, PPARG, and ESR1 proteins. Most interacting disease-targeted pathways were also identified. Conclusion: The study supported the anti-hyperlipidemic potential of C. absus seeds and their drug-like compounds through network pharmacology, thus paving the way for the development of herbal medicine.

Review

This study presents a compelling investigation into the anti-hyperlipidemic potential of *Cassia absus* seeds, a traditionally used medicinal plant. Hyperlipidemia, a critical risk factor for cardiovascular diseases, necessitates the continuous search for novel therapeutic agents, particularly from natural sources with their inherent multi-target effects. The authors adopt a commendable integrated approach, combining *in vivo* efficacy studies in a rat model with sophisticated *in silico* network pharmacology and molecular docking analyses. This dual strategy aims not only to validate the traditional use of *C. absus* but also to elucidate the underlying molecular mechanisms and identify specific bioactive, drug-like compounds responsible for its beneficial effects. The methodology employed is robust, initiating with a well-designed *in vivo* experiment involving hyperlipidemic rats treated with *C. absus* seed extract, alongside control and atorvastatin-treated groups. The significant improvement in the lipid profile of the extract-treated group (T3), marked by substantial reductions in TC, triglycerides, LDL, and an encouraging elevation in HDL, strongly supports its anti-hyperlipidemic potential. Complementing this, the *in silico* approach is comprehensive, leveraging multiple databases and bioinformatics tools for compound identification, drug-likeness assessment, target prediction, protein-protein interaction analysis, pathway enrichment, and molecular docking. This systematic workflow successfully identified six potential anti-hyperlipidemic compounds, including methyl gallate and syringic acid, and highlighted key interacting proteins such as ALB1, PPARG, and ESR1 with strong binding affinities. While the specific dose of the extract *in vivo* and detailed pathway annotations could enhance clarity, the overall findings provide a strong foundation for the claimed efficacy and mechanistic insights. In conclusion, this study effectively demonstrates the anti-hyperlipidemic properties of *Cassia absus* seeds, providing both experimental and computational evidence. The identification of specific bioactive compounds and their putative molecular targets through network pharmacology is a significant step forward, bridging traditional knowledge with modern drug discovery principles. This research not only validates *C. absus* as a promising candidate for managing hyperlipidemia but also lays critical groundwork for future investigations. Subsequent studies should focus on the isolation and purification of the identified compounds, followed by their individual *in vivo* efficacy and safety assessments. Further detailed mechanistic studies, including gene and protein expression analysis of the identified targets, would further solidify the understanding of *C. absus*' therapeutic action and pave the way for the development of novel, effective herbal medicines.

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