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基于结构的虚拟筛选预测斜蛛属蜘蛛毒液天然抑制剂
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作者 Haitham Ahmed Al-Madhagi 《Digital Chinese Medicine》 CSCD 2023年第1期67-72,共6页
目的世界范围内斜蛛属蜘蛛咬伤事故不断增多,急需探索天然抑制剂来抑制最显著的鞘磷脂酶D和透明质酸酶。方法通过DrugRep服务器使用中药抗鞘磷脂酶D(PDB ID:2F9R)和透明质酸酶进行虚拟筛选。通过同一服务器预测吸收、分布、代谢和排泄(A... 目的世界范围内斜蛛属蜘蛛咬伤事故不断增多,急需探索天然抑制剂来抑制最显著的鞘磷脂酶D和透明质酸酶。方法通过DrugRep服务器使用中药抗鞘磷脂酶D(PDB ID:2F9R)和透明质酸酶进行虚拟筛选。通过同一服务器预测吸收、分布、代谢和排泄(ADME)参数。此外,使用CABS-flex 2.0工具进行分子动力学模拟,确定潜在最佳天然抑制剂的优先次序。结果从分子对接和ADME参数来看,中药抑制抗鞘磷脂酶D和透明质酸酶的天然抑制剂中,Tiliroside和Digitoxin表现最佳。而洋地黄毒苷和β-胡萝卜素是对透明质酸酶最有效的抑制剂。分子动力学模拟证明了对接复合物的稳定性。结论通过中药对斜蛛属蜘蛛毒液酶的计算机模拟抑制得到证明,值得开展湿实验分析。 展开更多
关键词 斜蛛属蜘蛛 鞘磷脂酶D 中医药 分子对接 分子动力学模拟 吸收、分布、代谢与排泄(ADME)
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Biochemical pharmacology of diabetes and its complications:frontiers in therapy
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作者 Haitham Al-Madhagi 《Journal of Pancreatology》 2025年第2期118-134,共17页
Diabetes,an intricate chronic metabolic disorder,remains constituting a substantial global health concern,claiming millions of lives each year with no definitive cure currently available to date.Left untreated,diabete... Diabetes,an intricate chronic metabolic disorder,remains constituting a substantial global health concern,claiming millions of lives each year with no definitive cure currently available to date.Left untreated,diabetes consequently leads to the development of both microvascular as well as macrovascular complications,which are major contributors to the mortality rates among diabetic individuals.The pathogenesis of these complications involves a range of biochemical pathways,including aberrant metabolic pathways,oxidative stress,advanced glycation end products,the activation of protein kinase C,and the implication of various pro-inflammatory cytokines and adipokines.Strategies such as the design of specific inhibitors and antioxidant therapy have shown promise in managing these biochemical processes.In addition,pharmacological approaches have been explored to address the underlying mechanisms of diabetic complications,particularly the polyol pathway.In parallel,nutritional management has emerged as a key component in restoring metabolic balance and improving outcomes for individuals with diabetes.Dietary and diet interventions play a pivotal role in regulating glycemic levels,ameliorating inflammation,and supporting overall metabolic health in diabetic patients.This comprehensive review aims to shed light on the intricate biochemical basis of diabetic complications and explores the latest advancements in pharmacological and nutritional interventions for the effective control of diabetes and its associated consequences.By integrating cutting-edge research findings and practical strategies,this review seeks to provide valuable insights into the multifaceted approach required to combat the challenges posed by diabetes and enhance the quality of care for affected individuals. 展开更多
关键词 AGES DIABETES Diabetic complications Keto diet Oxidative stress Polyol pathway Ramadan intermittent fasting
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Fabrication of fluoroalkylsilane/zeolitic imidazolate framework composites for highly efficient superhydrophobic coating
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作者 Preyaphan Kheaw-in Chanatip Samart +5 位作者 Narong Chanlek Phakkhananan Pakawanit Prasert Reubroycharoen Guoqing Guan Suwadee Kongparakul Suda Kiatkamjornwong 《Carbon Resources Conversion》 2022年第1期26-34,共9页
Superhydrophobic bagasse paper was successfully engineered by facile spray coating with a zeolitic imidazolate framework composite modified by 3,3,3-trifluoropropyltrimethoxysilane(FAS)and used as a filter membrane wi... Superhydrophobic bagasse paper was successfully engineered by facile spray coating with a zeolitic imidazolate framework composite modified by 3,3,3-trifluoropropyltrimethoxysilane(FAS)and used as a filter membrane with special wettability for oil/water separation.Surface characteristics such as surface morphology,surface moieties,roughness,and wettability were observed.The addition of FAS decreased the apparent surface energy between solid surfaces and liquids with a polar contribution of surface free energy as low as 0 mN m−1.The formation of the FAS layer was confirmed by transmission electron microscopy and X-ray photoelectron spectroscopy core-level spectra.Three-dimensional surface topography revealed an increase in the spray coating cycle that enhanced the hydrophobicity of the coated paper.The results confirmed that not only microstructures but also the presence of functional groups with low surface energy(such as FAS)can promote surface hydrophobicity.The spray-coated paper with FAS/ZIF in the presence of a small amount of nanocellulose provided a superhydrophobic surface after the first spray cycle.The separation efficiency was up to 85%and was slightly affected by oil viscosity.Moreover,this can be used as a filter membrane for water-in-oil emulsions.In the present work,simple spray-coated paper is a promising candidate material for gravity-driven oil/water separation and water repellent coating. 展开更多
关键词 Superhydrophobic surface Spray-coating Zeolitic imidazolate framework Oil/water separation
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