Computer Based Screening of Selected Phytoconstituents from Cyperus Rotundus Linn. Against 5 α Reductase Enzyme
Keywords:Cyperus Rotundus Linn., Hirsutism, 5 α Reductase, Molecular Docking, Binding Affinity
Hirsutism is a condition of unwanted, male-pattern terminal hair growth in women. Electro epilation, laser treatment, intense pulsed light therapy, eflornithine cream, and oral antiandrogen medications are the various allopathic therapeutics have been employed for treatment of Hirsutism. However, a significant number of patients experience discomfort with reported procedures. Cyperus Rotundus Linn. have reported for its anti-androgenic activity effective against Hirsutism disorder. The main objective of present investigation is to screen the selected phytoconstituents of stated plant against 5 α Reductase Enzyme. In this study Cyperene, humulen, β- selinene, campholenic aldehyde, and α-pinene were docked with 5 α Reductase Enzyme using PyRx 0.8.Autodock and binding energies were obtained. The present investigation concludes that the molecular docking analysis of selected phytoconstituents with 5 α reductase enzyme shows good interaction. The binding affinity of Humulen is higher than others whereas campholenic aldehyde showed lowest affinity amongst all other constituents. Further studies need to be performed at laboratory level to support results of computational screening of present investigation.
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