Characterization of Plumbagin by implying various in silico studies
Keywords:
Estrogen, in-silico, plumbagin, progesterone receptorsAbstract
Naphthoquinone derivative was established to be an important chemical versatile scaffold belongs to Plumbago indica (Plumbaginaceae family). Its 5-hydroxy-2-methyl-1,4-naphthoquinone substituent, Plumbagin belongs to one of the diverse largest groups of plant metabolites and is obtained from the plant roots. Although the interactions of ligand receptor have not yet been confirmed, but it is found that it possess excellent antagonist properties against the multiple signaling proteins of cancer.The biggest problem like overflow of population is to be monitored to establish a balance ecologically. To resolve this problem, plumbagin is found to be a potential lead to overcome several side effects and contraindications resulted from other synthetic contraceptive analogues. The present investigation provides detailed information for understanding the various structural insights into progesterone receptors and estrogen receptors using different binding modes. It displayed excellent binding affinity against the progesteronereceptor (7.2 Kcal/mol (Ki 0.249 mM) and estrogen receptors (10.5 Kcal/mol (Ki = 0.294 mM)).
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