Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase.

Authors :: Vidhya Rekha U
Varadhachariyar R
Rajagopal P
Priya PH
Shazia Fathima JH
Govindan R
Palanisamy CP
Veeraraghavan VP
Jayaraman S
Source :: Bioinformation [Bioinformation] 2022 Mar 31; Vol. 18 (3), pp. 261-264. Date of Electronic Publication: 2022 Mar 31 (Print Publication: 2022).
Publication Year :: 2022
Abstract: 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.<br />Competing Interests: None declared<br /> (© 2022 Biomedical Informatics.)

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