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Aldosterone synthase inhibitors can lessen the production of aldosterone in organisms, which effectively affecting the treatment of hypertension. A series of computational approaches like QSAR, docking, DFT and molecular dynamics simulation are applied on 40 benzimidazole derivatives of aldosterone synthase(CYP11B2) inhibitors. Statistical parameters: Q2 = 0.877, R2 = 0.983(Co MFA) and Q2 = 0.848, R2 = 0.994(Co MSIA) indicate on good predictive power o... 相似文献
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