Previously, we have demonstrated that water dispersible single-walled carbon nanotubes (SWCNTs) may be used in low therapeutic doses in antihypertensive therapy as promising agents capable of activating constitutive nitric oxide synthase (NOS) in spontaneously hypertensive rats, thus increasing the NO production in central and peripheral elements of the cardiovascular system [1]. Here we confirm this effect by docking and molecular dynamics simulations, clearly showing that SWCNTs may interact with NOS and guanylate cyclase molecular structures.

中文翻译：

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单壁碳纳米管与一氧化氮合酶和鸟苷酸环化酶分子结构结合的建模

以前，我们已经证明，水分散性单壁碳纳米管 (SWCNT) 可以在低治疗剂量下用于抗高血压治疗，作为能够激活自发性高血压大鼠的组成型一氧化氮合酶 (NOS) 的有前途的药物，从而增加 NO 的产生。心血管系统的中枢和外周成分 [1]。在这里，我们通过对接和分子动力学模拟证实了这种效应，清楚地表明 SWCNT 可能与 NOS 和鸟苷酸环化酶分子结构相互作用。