id author title date pages extension mime words sentences flesch summary cache txt cord-333089-ufyzqgqk Aguilar-Pineda, Jorge Alberto Structural and functional analysis of female sex hormones against SARS-Cov2 cell entry 2020-07-29 .txt text/plain 6957 359 51 Based on the structural complementarity and steric impediments between the S protein and human ACE2 (hACE2) protein membranes, we mapped the glycosylation sites of both models [21] [22] [23] [24] and performed molecular dynamics simulations (MDS) by 250 ns to stabilize the glycosylated SARS-CoV2 spike (S) and hACE2 complex (suppl. Given the possibility that occupancy at glycosylated residues or S-RBD binding sites by estrogens could modify the affinity of the SARS-CoV2 virus and alter entry into the cell thereby reducing infectivity, we sought to further examine these interactions using a range of complementary experimental approaches (see Table S1 ). In an effort to explore the potential protective effects of female sex hormones against SARS-CoV-2 infection, we examined the impact of estradiol (17β-diol) and a dietary-derived phytoestrogen (S-equol) on hACE2 structure and protein expression by a combination of in silico modeling, in vitro, and in vivo analysis. ./cache/cord-333089-ufyzqgqk.txt ./txt/cord-333089-ufyzqgqk.txt