Title : Elucidation of endocrine-disrupting polychlorinated biphenyls binding potency with steroidogenic genes: Integration of in silico methods and ensemble docking approaches.

Pub. Date : 2018 Dec 15

PMID : 30196001






2 Functional Relationships(s)
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1 The non-polar, atomic pi - stacking and halogen bonds of PCBs with novel hotspots residues of StAR and CYP11A1 was indicated subtle conformational changes that barrier to cholesterol binding and/or locks to cholesterol ejection from Omega1-loop of StAR, and inhibits cholesterol to pregnenolone biosynthesis by CYP11A1; thus, these are probably revealed as block-cluster mechanisms. Pregnenolone cytochrome P450 family 11 subfamily A member 1 Homo sapiens
2 The non-polar, atomic pi - stacking and halogen bonds of PCBs with novel hotspots residues of StAR and CYP11A1 was indicated subtle conformational changes that barrier to cholesterol binding and/or locks to cholesterol ejection from Omega1-loop of StAR, and inhibits cholesterol to pregnenolone biosynthesis by CYP11A1; thus, these are probably revealed as block-cluster mechanisms. Pregnenolone cytochrome P450 family 11 subfamily A member 1 Homo sapiens