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Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase
Natural remedies from medicinal plants are known to be effective and reliable appropriate medicine for illnesses. The current research examined Plectranthus amboinicus' anti diabetic property by docking the bioactive compounds of certain target proteins. We document the molecular docking analys...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Biomedical Informatics
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722418/ https://www.ncbi.nlm.nih.gov/pubmed/36518120 http://dx.doi.org/10.6026/97320630018261 |
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| author | Vidhya Rekha, Umapathy Varadhachariyar, Rama Rajagopal, Ponnulakshmi Priya, Puja Harie Shazia Fathima, JH Govindan, Ramajayam Palanisamy, Chella Perumal Veeraraghavan, Vishnu Priya Jayaraman, Selvaraj |
| author_facet | Vidhya Rekha, Umapathy Varadhachariyar, Rama Rajagopal, Ponnulakshmi Priya, Puja Harie Shazia Fathima, JH Govindan, Ramajayam Palanisamy, Chella Perumal Veeraraghavan, Vishnu Priya Jayaraman, Selvaraj |
| author_sort | Vidhya Rekha, Umapathy |
| collection | PubMed |
| description | Natural remedies from medicinal plants are known to be effective and reliable appropriate medicine for illnesses. The current research examined Plectranthus amboinicus' anti diabetic property by docking the bioactive compounds of certain target proteins. We document the molecular docking analysis of bioactive compounds from Plectranthus amboinicus with protein Glucokinase. Molecular docking experiments were carried out in PyRx software. Results of these docking experiments showed that most of the compounds showed very strong interaction with the target protein Glucokinase. Based on the scoring parameters we have selected best four compounds (Rutin, Salvianolic acid, Luteolin and Salvigenin) which showed very good docking score and hydrogen bond interaction for diabetics. |
| format | Online Article Text |
| id | pubmed-9722418 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2022 |
| publisher | Biomedical Informatics |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-97224182022-12-13 Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase Vidhya Rekha, Umapathy Varadhachariyar, Rama Rajagopal, Ponnulakshmi Priya, Puja Harie Shazia Fathima, JH Govindan, Ramajayam Palanisamy, Chella Perumal Veeraraghavan, Vishnu Priya Jayaraman, Selvaraj Bioinformation Research Article Natural remedies from medicinal plants are known to be effective and reliable appropriate medicine for illnesses. The current research examined Plectranthus amboinicus' anti diabetic property by docking the bioactive compounds of certain target proteins. We document the molecular docking analysis of bioactive compounds from Plectranthus amboinicus with protein Glucokinase. Molecular docking experiments were carried out in PyRx software. Results of these docking experiments showed that most of the compounds showed very strong interaction with the target protein Glucokinase. Based on the scoring parameters we have selected best four compounds (Rutin, Salvianolic acid, Luteolin and Salvigenin) which showed very good docking score and hydrogen bond interaction for diabetics. Biomedical Informatics 2022-03-31 /pmc/articles/PMC9722418/ /pubmed/36518120 http://dx.doi.org/10.6026/97320630018261 Text en © 2022 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |
| spellingShingle | Research Article Vidhya Rekha, Umapathy Varadhachariyar, Rama Rajagopal, Ponnulakshmi Priya, Puja Harie Shazia Fathima, JH Govindan, Ramajayam Palanisamy, Chella Perumal Veeraraghavan, Vishnu Priya Jayaraman, Selvaraj Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title | Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title_full | Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title_fullStr | Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title_full_unstemmed | Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title_short | Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase |
| title_sort | molecular docking analysis of bioactive compounds from plectranthus amboinicus with glucokinase |
| topic | Research Article |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722418/ https://www.ncbi.nlm.nih.gov/pubmed/36518120 http://dx.doi.org/10.6026/97320630018261 |
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