دورية أكاديمية
Stearyl palmitate a multi-target inhibitor against breast cancer: in-silico, in-vitro & in-vivo approach.
| العنوان: | Stearyl palmitate a multi-target inhibitor against breast cancer: in-silico, in-vitro & in-vivo approach. |
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| المؤلفون: | Ravi L; Department of Food Technology, Faculty of Life and Allied Health Sciences, MS Ramaiah University of Applied Sciences, Bengaluru, Karnataka, India., Kumar K A; Department of Life Sciences, Kristu Jayanti College (Autonomous), Bengaluru, Karnataka, India., Kumari G R S; School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India., S H; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., Sam Raj JB; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., R L; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., Chinnaiyan P; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., K C DJ; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., J K M; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., Sudhakara D; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., Dar MS; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., D M Y; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India., G S; Department of Botany, School of Life Sciences, St Joseph's University, Bengaluru, Karnataka, India. |
| المصدر: | Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Sep 10, pp. 1-18. Date of Electronic Publication: 2023 Sep 10. |
| Publication Model: | Ahead of Print |
| نوع المنشور: | Journal Article |
| اللغة: | English |
| بيانات الدورية: | Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: June 2012- : Oxon, UK : Taylor & Francis Original Publication: Guilderland, NY : Adenine Press, [c1983- |
| مستخلص: | Multi-target inhibitors are currently trending in the pharmaceutical research, as they possess increased efficacy and reduced toxicity. In this study multi-target inhibitors for breast cancer are explored from a curated list of natural products, i.e. 4,670 phytochemicals belonging to 360 medicinal plants. In-silico screening of phytochemicals using SeeSAR and AutoDock Vina resulted in identification of Stearyl Palmitate as a potential drug molecule that inhibits three drug targets, i.e. HER-2, MEK-1 and PARP-1 proteins. Molecular Dynamics Simulation for 100 ns each for these three protein-ligand complexes using Desmond, Maestro platform also confirmed the prediction of multi-target inhibition by Stearyl Palmitate. Further in-vitro MTT assay demonstrated that Stearyl Palmitate has a significant IC |
| فهرسة مساهمة: | Keywords: Desmond; MTT assay; SeeSAR; Stearyl Palmitate; breast cancer; multi-target inhibitor |
| تواريخ الأحداث: | Date Created: 20230911 Latest Revision: 20230911 |
| رمز التحديث: | 20231215 |
| DOI: | 10.1080/07391102.2023.2255271 |
| PMID: | 37691453 |
| قاعدة البيانات: | MEDLINE |
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