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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...

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Detalles Bibliográficos
Autores principales: Vidhya Rekha, Umapathy, Varadhachariyar, Rama, Rajagopal, Ponnulakshmi, Priya, Puja Harie, Shazia Fathima, JH, Govindan, Ramajayam, Palanisamy, Chella Perumal, Veeraraghavan, Vishnu Priya, Jayaraman, Selvaraj
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2022
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
Descripción
Sumario: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.