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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: | Molecular Docking Studies of Jasminium officinale Compounds for Wound Healing Properties |
| Authors Name: | Ms. Nikita Sahu , Dr. Sarita Karole , Dr. Kavita R. Loksh |
| Unique Id: | IJSDR2401058 |
| Published In: | Volume 9 Issue 1, January-2024 |
| Abstract: | Wound healing is a complex biological process involving various cellular and molecular events. Natural compounds derived from medicinal plants have gained significant attention for their potential wound healing properties. Jasminium officinale, commonly known as jasmine, is a widely used traditional medicinal plant known for its therapeutic properties. In this study, we aimed to investigate the potential wound healing effects of compounds found in Jasminium officinale through molecular docking simulations. A comprehensive library of phytochemicals present in Jasminium officinale was constructed and their 3D structures were obtained using chemical databases and computational tools. Subsequently, the molecular docking approach was employed to evaluate the binding affinities of these compounds with key molecular target Matrix metalloproteinase (MMP) 13 involved in wound healing. The molecular docking studies revealed significant interactions between Jasminium officinale compounds and the target protein MMP-13. The compounds were also reranked on the basis of binding free energy calculated with MMGBSA method. Several compounds exhibited strong binding affinities, indicating their potential to modulate the activity of these proteins. Furthermore, the identified compounds were subjected to ADME (absorption, distribution, metabolism, and excretion) and toxicity predictions to assess their drug-like properties and safety profiles. Compounds exhibiting favorable pharmacokinetic and toxicological properties were prioritized for further consideration. These findings serve as a foundation for future in vitro and in vivo investigations to validate the efficacy of these compounds as wound healing agents. |
| Keywords: | Molecular docking, Jasminium officinale, wound healing, ligand-receptor interactions, bioactive molecules. |
| Cite Article: | "Molecular Docking Studies of Jasminium officinale Compounds for Wound Healing Properties", International Journal of Science & Engineering Development Research (www.ijsdr.org), ISSN:2455-2631, Vol.9, Issue 1, page no.398 - 403, January-2024, Available :http://www.ijsdr.org/papers/IJSDR2401058.pdf |
| Downloads: | 000338719 |
| Publication Details: | Published Paper ID: IJSDR2401058 Registration ID:209849 Published In: Volume 9 Issue 1, January-2024 DOI (Digital Object Identifier): Page No: 398 - 403 Publisher: IJSDR | www.ijsdr.org ISSN Number: 2455-2631 |
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