Molecular docking studies of inhibitory activities of Phytochemicals in Calotropis procera against ?-glucosidase hydrolase Sus B.

نویسندگان

چکیده

The use of synthetic drugs is associated with various side effects and it important to look for other from medicinal plants. Therefore, this study aimed at assessing the inhibitory activities Calotropis procera leaf against ?-glucosidase hydrolase Sus B it?s possible mode inhibiting enzyme through molecular docking studies. From analysis, results shows that out thirty six (36) screened phytochemicals, only twenty (26) fall between recommended hit value inhibition constant (0.1-1.0 µM) where their range (0.01-0.59 after target receptor SusB (PDB ID: 2ZQ0) using Pyrx-vitual screening tools (Autodock tool, Autodock vina Open babel).Visualizing was done Pymol Biosvia discovery studio(2019). Considering analysis done, Drug likeness Lipinski rule five, six(6): Hesperidine (3),Calotroposide (3),Calotropin (3),Ascleposide (4),Proceroside (4) Voruschairin (3) potent contravene more than 2 rules therefore (20) compounds can be considered processing into drugs.

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ژورنال

عنوان ژورنال: Bulletin of the Chemical Society of Nigeria

سال: 2021

ISSN: ['0795-2066']

DOI: https://doi.org/10.46602/jcsn.v46i2.599