Hormonal oral contraceptives (OCs) represent a widely adopted strategy for reversible contraception. While their molecular and pharmacological mechanisms are well-understood, their broader effects on the body, including impacts on brain function and mood, are a topic of rising interest. Synthetic hormones used in OCs are derived from their natural counterparts, but include structural modifications designed to improve pharmacological properties, raising the possibility that they may engage their receptors differently and contribute to the heterogeneous effects reported in clinical and observational studies. The present work investigates, at the molecular level, whether structural differences between endogenous and synthetic sex hormones translate into distinct ligand-receptor interaction patterns, potentially altering downstream signaling cascades or eliciting secondary off-target effects.