In Silico and In Vivo Evaluation of Anti‐Arthritic Effects of Bakuchiol from Psoralea corylifolia Seeds in Experimental Rat Model

IF 2.3 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Chemistry & Biodiversity Pub Date : 2024-09-12 DOI:10.1002/cbdv.202401606
Kamal Saini, Samrat Chauhan, Mohammed Ovais Dar, Sumeet Gupta, Inder Pal Singh, Ravindra K. Rawal, Nidhi Gupta
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Abstract

In the present investigation, we studied the anti‐arthritic effects of bakuchiol via in silico and in vivo experiments. Molecular Docking studies carried out on COX‐1 (PDB ID: 3N8Z), COX‐2 (PDB ID: 4PH9) and TNF‐α (PDB ID: 7JRA), proteins involved in inflammation in arthritis. Bakuchiol showed the maximum binding affinity for TNF‐α with binding affinity score is ‐7.29 kcal/mol. In vivo antiarthritic effects were studied in arthritic female wistar rats model prepared by intradermal injection of freund’s complete adjuvant. Our treatment showed that bakuchiol at 20 and 40 mg/kg exhibited significant anti‐inflammatory effects(p< 0.001) showed by significant decrease in paw volume, paw diameter, spleen and thymus weight and increase in pain threshold and body weight in arthritic rat model. A significant decrease in hematological parameters such as total leukocyte count (TLC), platelet count, CRP and rheumatoid arthritis factor (RF)and increase in red blood cells count, ESR and hemoglobin further demonstrated that bakuchiol treatment suppresses the progression of adjuvant induced arthritis (AIA) in arthritic rat model. Histological analysis further revealed that bakuchiol ameliorates the pathological manifestations of AIA . In silico and in vivo results revealed that bakuchiol has the potential to be developed as potent antiarthritic agent.
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在实验大鼠模型中评估银莲花籽中的 Bakuchiol 在体内和硅体内的抗关节炎作用
在本研究中,我们通过硅学和体内实验研究了巴枯二醇的抗关节炎作用。我们对参与关节炎炎症反应的 COX-1(PDB ID:3N8Z)、COX-2(PDB ID:4PH9)和 TNF-α(PDB ID:7JRA)蛋白进行了分子对接研究。Bakuchiol 与 TNF-α 的结合亲和力最大,结合亲和力分数为 -7.29 kcal/mol。通过皮内注射 freund's 完全佐剂,对关节炎雌性wistar大鼠模型进行了体内抗关节炎作用的研究。治疗结果表明,20 毫克/千克和 40 毫克/千克的巴枯二醇具有显著的抗炎作用(p< 0.001),表现为关节炎模型大鼠的爪体积、爪直径、脾脏和胸腺重量显著减少,痛阈值和体重增加。血液学参数如白细胞总数(TLC)、血小板计数、CRP和类风湿性关节炎因子(RF)的明显降低,以及红细胞计数、血沉和血红蛋白的增加,进一步证明了巴枯二醇能抑制佐剂诱导的关节炎(AIA)在关节炎大鼠模型中的发展。组织学分析进一步表明,巴枯二醇可改善 AIA 的病理表现。硅学和体内研究结果表明,巴枯二醇具有开发为强效抗关节炎药物的潜力。
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来源期刊
Chemistry & Biodiversity
Chemistry & Biodiversity 环境科学-化学综合
CiteScore
3.40
自引率
10.30%
发文量
475
审稿时长
2.6 months
期刊介绍: Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.
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Front Cover: Synthesis of Para-Acetylated Functionalized Ni(II)-POCOP Pincer Complexes and Their Cytotoxicity Evaluation Against Human Cancer Cell Lines (Chem. Biodiversity 9/2024) In Silico and In Vivo Evaluation of Anti‐Arthritic Effects of Bakuchiol from Psoralea corylifolia Seeds in Experimental Rat Model Design, Synthesis, Antibacterial, and Antifungal Evaluation of a New Series of Quinazoline—Thiazole and /or Quinazoline—Triazole Hybrids as Bioactive Heterocycles Synthetic Strategies towards the Generation of Penicillin‐Containing Hybrids in the Search for Anticancer Activity Phenolic Acids Derivatives from Meehania Fargesii with Anti‐inflammation Effects
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