Aqueous solution interactions with sex hormone-binding globulin and estradiol: a theoretical investigation.

ABSTRACT: Sex hormone-binding globulin (SHBG) is a binding protein that regulates the availability of steroid hormones in the plasma. Although best known as a steroid carrier, recent studies have associated SHBG in modulating behavioral aspects related to sexual receptivity. Among steroids, estradiol (17β-estradiol, oestradiol or E2), documented as the most active endogenous female hormone, exerts important physiological roles in both reproductive and non-reproductive functions. In this framework, we employed molecular dynamics (MD) and docking techniques for quantifying the interaction energy between a complex aqueous solution, composed by different salts, SHBG and E2. As glucose concentration resembles measured levels in diabetes, special emphasis was devoted to analyzing the interaction energy be

SUBMITTER: da Silva AJ 

PROVIDER: S-EPMC6208589 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature