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INTERNATIONAL JOURNAL OF SCIENTIFIC DEVELOPMENT AND RESEARCH International Peer Reviewed & Refereed Journals, Open Access Journal ISSN Approved Journal No: 2455-2631 | Impact factor: 8.15 | ESTD Year: 2016 open access , Peer-reviewed, and Refereed Journals, Impact factor 8.15 |
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| Paper Title: | In silico study of chemical compounds present in Syzygium cumini for antiarthritic activity |
| Authors Name: | MS UMA KUMARI , DR. SARITA KAROLE , DR. KAVITA R. LOKSH |
| Unique Id: | IJSDR2311094 |
| Published In: | Volume 8 Issue 11, November-2023 |
| Abstract: | An inflammatory, autoimmune illness that progresses is rheumatoid arthritis (RA) that causes joint inflammation and progressive joint damage. The search for effective therapeutic options for rheumatoid arthritis (RA) has led to the investigation of natural compounds as potential drug leads. In this study, we employed a comprehensive molecular docking approach to identify potential drug leads targeting high-temperature requirement protein 1 (HtrA1), a key player in RA pathogenesis from the plant Syzygium cumini. Using the IMPPAT database, we collected 241 phytoconstituents of Syzygium cumini and performed blind docking with the HtrA1 protein (PDB ID: 3TJO). Three distinct active sites were identified, and the top-ranking compounds were selected based on binding energy. Among the compounds evaluated, 3-O-Acetyloleanolic acid, Betulinic acid, (3S)-O-(N-Methoxy-N-D-glucosylglycyl)betulinic acid, Corilagin, and Friedelon exhibited promising binding interactions with HtrA1, suggesting their potential as lead candidates for RA. |
| Keywords: | Rheumatoid arthritis, High-Temperature Requirement Protein 1, Molecular docking, Virtual screening. |
| Cite Article: | "In silico study of chemical compounds present in Syzygium cumini for antiarthritic activity ", International Journal of Science & Engineering Development Research (www.ijsdr.org), ISSN:2455-2631, Vol.8, Issue 11, page no.637 - 640, November-2023, Available :http://www.ijsdr.org/papers/IJSDR2311094.pdf |
| Downloads: | 000338719 |
| Publication Details: | Published Paper ID: IJSDR2311094 Registration ID:209295 Published In: Volume 8 Issue 11, November-2023 DOI (Digital Object Identifier): Page No: 637 - 640 Publisher: IJSDR | www.ijsdr.org ISSN Number: 2455-2631 |
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