Villalaín José
Institute of Research, Development, and Innovation in Healthcare Biotechnology (IDiBE), Universidad "Miguel Hernández", E-03202 Elche, Alicante, Spain.
Antioxidants (Basel). 2024 Aug 22;13(8):1025. doi: 10.3390/antiox13081025.
Honokiol, a biphenyl lignan extracted from bark extracts belonging to Magnolia plant species, is a pleiotropic compound which exhibits a widespread range of antioxidant, antibacterial, antidiabetic, anti-inflammatory, antiaggregant, analgesic, antitumor, antiviral and neuroprotective activities. Honokiol, being highly hydrophobic, is soluble in common organic solvents but insoluble in water. Therefore, its biological effects could depend on its bioactive mechanism. Although honokiol has many impressive bioactive properties, its effects are unknown at the level of the biological membrane. Understanding honokiol's bioactive mechanism could unlock innovative perspectives for its therapeutic development or for therapeutic development of molecules similar to it. I have studied the behaviour of the honokiol molecule in the presence of a plasma-like membrane and established the detailed relation of honokiol with membrane components using all-atom molecular dynamics. The results obtained in this work sustain that honokiol has a tendency to insert inside the membrane; locates near and below the cholesterol oxygen atom, amid the hydrocarbon membrane palisade; increases slightly hydrocarbon fluidity; does not interact specifically with any membrane lipid; and, significantly, forms aggregates. Significantly, aggregation does not impede honokiol from going inside the membrane. Some of the biological characteristics of honokiol could be accredited to its aptitude to alter membrane biophysical properties, but the establishment of aggregate forms in solution might hamper its clinical use.
厚朴酚是从木兰属植物树皮提取物中提取的一种联苯木脂素，是一种具有多种功能的化合物，具有广泛的抗氧化、抗菌、抗糖尿病、抗炎、抗聚集、镇痛、抗肿瘤、抗病毒和神经保护活性。厚朴酚具有高度疏水性，可溶于常见有机溶剂，但不溶于水。因此，其生物学效应可能取决于其生物活性机制。尽管厚朴酚具有许多令人印象深刻的生物活性特性，但其在生物膜水平上的作用尚不清楚。了解厚朴酚的生物活性机制可能为其治疗开发或与其类似分子的治疗开发开辟新的视角。我研究了厚朴酚分子在类质膜存在下的行为，并使用全原子分子动力学确定了厚朴酚与膜成分的详细关系。这项工作获得的结果表明，厚朴酚有插入膜内的倾向；位于胆固醇氧原子附近和下方，在烃类膜栅栏中间；略微增加烃类流动性；不与任何膜脂发生特异性相互作用；并且，显著地，形成聚集体。值得注意的是，聚集并不妨碍厚朴酚进入膜内。厚朴酚的一些生物学特性可能归因于其改变膜生物物理性质的能力，但溶液中聚集体形式的形成可能会妨碍其临床应用。
