The potential of <i>Abrus precatorius</i> leaves in arthritis alleviation computational approaches through lC-MS analysis
Creators: name: Vijayan, Sukanya
name: Margesan, Thirumal
Publisher: name: Taylor & Francis
Year: 2025
Subjects: subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified

description: This study explores the therapeutic potential of <i>Abrus precatorius</i> leaves in arthritis treatment using computational methods and LC-MS analysis. The plant material was taxonomically authenticated, and phytochemical analysis identified bioactive compounds such as alkaloids, flavonoids, and triterpenoids. Swiss ADME analysis confirmed that multiple compounds complied with Lipinski’s Rule of Five, while OSIRIS software indicated minimal toxicity. PASS analysis predicted anti-inflammatory and antioxidant activities. Molecular docking simulations of Abrine with key rheumatoid arthritis (RA) targets revealed strong binding affinities, suggesting potential mechanisms for RA treatment. This research highlights the medicinal potential of <i>Abrus precatorius</i> leaves and emphasizes the importance of computational tools in understanding their pharmacological properties for arthritis management. Rheumatoid arthritis (RA) is a long-lasting condition that causes pain and swelling in the joints. This study looks at how Abrus precatorius, a plant often used in traditional medicine, might help ease the symptoms of RA. We found natural substances in the plant that may reduce inflammation and protect against damage. To better understand how these substances work, we used computer-based methods to see how they might interact with the parts of the body involved in arthritis. While the results are promising, more studies are needed to confirm if the plant is safe and effective for treating RA over time. Ethanol was found to be the most effective in extracting bioactive compounds from <i>Abrus precatorius</i> leaves.The toxicity assessment demonstrated that many compounds, including Abrine, Cirsimaritin, and Delphinidin, did not exhibit any toxicityQuantitative analysis showed that the ethanolic extract was particularly rich in flavonoidsLC-MS of the ethanolic extract revealed the presence of many flavanoids and alkaloidsThe study provides promising leads for further research into <i>Abrus precatorius</i> as a natural remedy for inflammatory conditionsThe PASS analysis predicted various biological activities for the compounds, including anti-inflammatory, antioxidant, and antimicrobial effects, which are relevant to arthritis management.Seven compounds identified in the extract complied with Lipinski’s Rule of Five, indicating their potential for further pharmaceutical development<i>Abrus precatorius</i> could serve as a natural source of bioactive compounds with potential therapeutic applications, particularly in managing inflammatory conditions such as arthritis. Ethanol was found to be the most effective in extracting bioactive compounds from <i>Abrus precatorius</i> leaves. The toxicity assessment demonstrated that many compounds, including Abrine, Cirsimaritin, and Delphinidin, did not exhibit any toxicity Quantitative analysis showed that the ethanolic extract was particularly rich in flavonoids LC-MS of the ethanolic extract revealed the presence of many flavanoids and alkaloids The study provides promising leads for further research into <i>Abrus precatorius</i> as a natural remedy for inflammatory conditions The PASS analysis predicted various biological activities for the compounds, including anti-inflammatory, antioxidant, and antimicrobial effects, which are relevant to arthritis management. Seven compounds identified in the extract complied with Lipinski’s Rule of Five, indicating their potential for further pharmaceutical development <i>Abrus precatorius</i> could serve as a natural source of bioactive compounds with potential therapeutic applications, particularly in managing inflammatory conditions such as arthritis.