Pohorille A, Wilson M A, New M H, Chipot C
Exobiology Branch, NASA-Ames Research Center, Moffett Field, CA 94035-1000, USA.
Toxicol Lett. 1998 Nov 23;100-101:421-30. doi: 10.1016/s0378-4274(98)00216-1.
The free energies of transferring a variety of anesthetic and nonanesthetic compounds across water-oil and water-membrane interfaces were obtained using computer simulations. Anesthetics exhibit greatly enhanced concentrations at these interfaces, compared to nonanesthetics. The substitution of the interfacial solubilites of the anesthetics for their bulk lipid solubilities in the Meyer-Overton relation, was found to give a better correlation, indicating that the potency of an anesthetic is directly proportional to its solubility at the interface.
通过计算机模拟获得了多种麻醉性和非麻醉性化合物跨水 - 油界面及水 - 膜界面转移的自由能。与非麻醉剂相比，麻醉剂在这些界面处的浓度显著增加。研究发现，用麻醉剂在界面处的溶解度取代其在迈耶 - 奥弗顿关系中的本体脂质溶解度，能得到更好的相关性，这表明麻醉剂的效能与其在界面处的溶解度成正比。
