Objectives:The Sex Hormone Binding Globulin (SHBG) plays an important role in male infertility. Methods: The present research computationally emphases to SHBG protein with 47 natural phytocompounds using docking studies. Results: From the results showed the interactions between 1KDM protein with 47 phytocompounds, a natural compound chlorogenic acid showed the best glide docking XP score -7.255 kcal/mol and the binding energy value of -47.869 kcal/ mol. Based on the result, the chlorogenic acid and target were run on MD simulations stable at 10 ns. Conclusion: Finally, this study concludes the chlorogenic acid is a suitable drug candidate for infertility.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.