Laboratory of Immunology and Biodiversity, Faculty of Sciences Ain Chock, Hassan II University, Casablanca, Morocco.
Laboratoire Santé et Environnement, Faculté des Sciences Ain Chock, Université Hassan II de Casablanca, Casablanca, Morocco.
J Toxicol Environ Health A. 2024 Oct 17;87(20):836-854. doi: 10.1080/15287394.2024.2379856. Epub 2024 Jul 19.
Inflammatory Bowel Disease-Associated Arthritis (IBD-associated arthritis) poses a significant challenge, intertwining the complexities of both inflammatory bowel disease (IBD) and arthritis, significantly compromising patient quality of life. While existing medications offer relief, these drugs often initiate adverse effects, necessitating the requirement for safer therapeutic alternatives. , a traditional medicinal plant known for its anti-inflammatory properties, emerges as a potential candidate. Our computational study focused on examining 20 bioactive compounds derived from for potential treatment of IBD-associated arthritis. These compounds detected in include camphor, alpha-thujone, eucalyptol, cis-chrysanthenyl acetate, vicenin-2, 4,5-di-O-caffeoylquinic acid, chlorogenic acid, hispidulin, isoschaftoside, isovitexin, patuletin-3-glucoside, vanillic acid, rutin, schaftoside, lopinavir, nelfinavir, quercetin, artemisinin, gallic acid, and cinnamic acid. Following rigorous analysis encompassing pharmacokinetics, toxicity profiles, and therapeutic targets, compounds with favorable, beneficial characteristics were identified. In addition, comparative analysis with disease-gene associations demonstrated the interconnectedness of inflammatory pathways across diseases. Molecular docking studies provided mechanistic insights indicating this natural plant components potential to modulate critical inflammatory pathways. Overall, our findings indicate that -derived compounds may be considered as therapeutic agents for IBD-associated arthritis, warranting further experimental validation and clinical exploration.
炎症性肠病相关关节炎（IBD 相关关节炎）是一个重大挑战，它交织了炎症性肠病（IBD）和关节炎的复杂性，极大地影响了患者的生活质量。虽然现有药物可以缓解症状，但这些药物常常会引发不良反应，因此需要更安全的治疗选择。作为一种具有抗炎特性的传统药用植物，脱颖而出，成为一种有潜力的候选药物。我们的计算研究集中在研究 20 种从 中提取的生物活性化合物，以探索它们治疗 IBD 相关关节炎的潜力。在 中检测到的化合物包括樟脑、α-侧柏酮、桉油醇、顺式 Chrysanthenyl 乙酸酯、vicenin-2、4,5-二-O-咖啡酰奎宁酸、绿原酸、hispidulin、异沙夫定、异荭草苷、patuletin-3-葡萄糖苷、香草酸、芦丁、schaftoside、lopinavir、nelfinavir、槲皮素、青蒿素、没食子酸和肉桂酸。经过包括药代动力学、毒性概况和治疗靶点在内的严格分析，确定了具有良好、有益特征的化合物。此外，与疾病基因关联的比较分析表明，炎症途径在不同疾病之间存在关联。分子对接研究提供了机制见解，表明这些天然植物成分具有调节关键炎症途径的潜力。总的来说，我们的研究结果表明，- 衍生的化合物可能被视为治疗 IBD 相关关节炎的治疗剂，值得进一步的实验验证和临床探索。
