研究以苦水玫瑰精油为原料,利用分子对接技术初步探究了其抗血栓可能性,并制备了一种苦水玫瑰精油微乳液,对微乳液的微乳液类型、包埋率等基本性质进行测定,探究苦水玫瑰精油微乳液在不同离心力、温度、pH、贮藏时间的条件下的稳定性,通过模拟人工胃肠消化条件考察了玫瑰精油微乳液中有效成分的稳定性。结果表明,雄激素受体与香茅醇的对接能为－5.711 78 kcal/mol,结合活性良好,与甲基丁香酚、庚醛、姜黄烯的对接能分别为－13.403 5、－26.986 6、－13.917 kcal/mol,结合活性极强,可通过碳氢键结合发挥抗血栓的功能。苦水玫瑰精油微乳液为O/W型微乳液,包埋率为99.47%,密度为1.04 g/cm3,pH值为7.55,粒径为141.67 nm,苦水玫瑰精油微乳液有良好的离心稳定性,25 ℃避光保存30 d状态良好,pH值在5~8内耐酸碱性良好,在胃肠消化条件下亦表现出良好的稳定性。该研究可为苦水玫瑰精油微乳液产品开发、稳定性研究提供理论支持,为后续苦水玫瑰精油抗血栓功能提供了方向。
Utilizing Kushui rose essential oil as the primary material, the research initially investigated its antithrombotic properties through molecular docking technology.Subsequently, a Kushui rose essential oil microemulsion was formulated.The study examined key properties such as the type of microemulsion and embedding rate.Furthermore, the stability of the microemulsion was tested under a variety of conditions, including varying centrifugal forces, temperatures, pH levels, storage durations, and during artificial gastrointestinal digestion experiments.The results revealed that the docking energy between the androgen receptor and citronellol was -5.711 78 kcal/mol, indicating good binding activity.Additionally, the docking energies for methyleugenol, heptanal, and curcumin with the androgen receptor were -13.403 5, -26.986 6, and -13.917 kcal/mol, respectively, suggesting extremely strong binding activities.These bindings were likely responsible for mediating antithrombotic function through carbon-hydrogen bonds.The Kushui rose essential oil microemulsion was identified as an O/W type with a high encapsulation rate of 99.47%, a density of 1.04 g/cm3, a pH of 7.55, and a particle size of 141.67 nm.The microemulsion demonstrated robust centrifugal stability and remained stable when stored in darkness at 25 ℃ for 30 days.It also showed good acid and alkali resistance within a pH range of 5-8 and exhibited stability in simulated gastrointestinal digestion experiments.This research provides theoretical support for the development and stability studies of Kushui rose essential oil microemulsion products and presents a direction for future antithrombotic research endeavors.
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