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81.
S期激酶相关蛋白2(S-phase kinase-associated protein 2,Skp2)与Skp1形成的蛋白质聚合物在调控癌细胞生长周期中发挥着重要作用,而苯并吡喃酮类抑制剂(简称BPC)可有效抑制Skp1-Skp2的形成,但其分子识别机制尚不明确.通过生物信息学统计分析已报道的Skp1-Skp2晶体结构,确定模拟体系后,首先用同源模建对其模拟体系缺失的结构进行补全;然后用分子对接方法获得Skp1-Skp2-BPC复合物模型并用于后续分子动力学模拟.计算结果表明:疏水相互作用是促使BPC特异性结合在由Skp2 W109、D110、L117、I120、R138和W139所构成口袋中的主要驱动力,自由能计算值与实验数据吻合较好.Skp2结合BPC后,结合口袋周围的氢键网络有所加强,口袋附近的溶剂化水分子数量明显减少,导致Skp1-Skp2的体系稳定性下降.体系构象成簇与运动性分析显示,Skp1-Skp2在结合BPC抑制剂后,Skp1的运动更加剧烈,这可能是BPC主要的抑制机理. 相似文献
82.
采用紫外-可见分光光度法测定了柿叶总黄酮缓释微丸在人工胃液和磷酸盐缓冲液(pH=6.8)中的累积释药率,并分别对其释药模型进行拟合.结果显示缓释微丸在磷酸盐缓冲液中12h的累积释药率为83.22%,释药模型符合Higuchi方程;在人工胃液中12h的累积释药率为55.42%,释药模型为Higuchi方程.相较于人工胃液,柿叶总黄酮缓释微丸在磷酸盐缓冲液中具有良好的释药性能. 相似文献
83.
考虑到新药研发周期长和高度的不确定性的特点,在实物期权理论的基础上建立了多阶段复合期权的评价模型,针对二阶段定价模型的不足,提出了各阶段波动率不同的三阶段定价模型,并得到其封闭解。最后用改进的三阶段变波动率复合期权模型来评估一个新药研发项目的价值,计算结果表明模型具有较好的实用性。 相似文献
84.
Huy Minh Dao Amit Raviraj Pillai Rishi Thakkar Sanjiv Parajuli Esteban Urena-Benavides Seongbong Jo 《应用聚合物科学杂志》2021,138(2):49665
Light-sensitive drug delivery systems are considered ideal for applications in the biomedical fields for their ability to release the payload in an on-demand spatiotemporal controlled manner through the manipulation of the light source. Among the broad radiation spectrum, near infrared (NIR) light is considered advantageous compared to UV and visible light, due to its inherently lower photodamage to normal tissues and deeper penetration to lesion areas. In this study, we report a successful synthesis of a polymer capable of undergoing partial degradation upon irradiation with NIR light by conjugating 10-N-carbamoyl linkage methylene blue (MB) moiety, a NIR photocleavable ligand, with polyethylene glycol (PEG). Through effective coupling of MB, a hydrophobic moiety, to the hydrophilic PEG molecule, an amphiphilic polymer was synthesized, as demonstrated by a lowered surface tension (55 mN/m at 0.1% wt/vol). Subsequently, photo-induced reversal of surface activity associated with self-assembled structure disruption, was displayed by surface tension measurements, size distribution analysis, and burst release profile of paclitaxel (PTX) from polymeric micelles upon the exposure to NIR irradiation. 相似文献
85.
Iodine-loaded poly(silicic acid) gellan nanocomposite film was fabricated and evaluated for antibacterial properties. Poly(silicic acid) nanoparticles were synthesized by condensation of silicic acid under alkaline conditions in the presence of polyvinyl pyrrolidone, phosphate ions, and molecular iodine. The nanoparticles were incorporated into gellan dispersion to prepare gellan nanocomposite film using the solvent casting method. The nanocomposite films were characterized by Fourier transformed infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction studies. The results of characterization studies indicated improved thermal stability and an increase in the degree of crystallinity. The scanning electron micrographs and energy dispersive X-ray spectrum confirmed the uniform dispersion of silica and iodine in the nanocomposite films. The analysis of physical and mechanical properties revealed the enhanced tensile strength, moisture resistance, and higher folding endurance of poly(silicic acid) gellan nanocomposite films as compared to gellan film. Further, the iodine-loaded poly(silicic acid) gellan nanocomposite films showed good antibacterial activity against Staphylococcus aureus and Escherichia coli and effective mucoadhesive strength. The results indicate that iodine-loaded poly(silicic acid) gellan nanocomposite mucoadhesive film can be used for potential antibacterial applications in pharmaceuticals. 相似文献
86.
Federico Karp Florencia S. Satler Carlos A. Busatto Julio A. Luna Diana A. Estenoz Ludmila N. Turino 《应用聚合物科学杂志》2021,138(17):50293
The aim of the present work is the characterization of PLGA microparticles including biopolymers for the controlled release of tilmicosin, a broad-spectrum antibiotic. Microparticles were prepared using the double-emulsion solvent evaporation technique. The effect of alginate and pectin incorporation over particle size and porosity, encapsulation efficiency (EE) and pH-responsive drug release was evaluated. Formulations presented a mean particle size of 5.5 μm approximately and a drug EE ranged from 22%–57%. PLGA-Alginate particles showed an increased porosity. Tilmicosin release profiles from PLGA and PLGA-biopolymer microparticles were affected by the particular combination of polymers and the pH of the release medium. The experimental data was simulated using a mathematical model, which takes into account the autocatalytic polymer degradation and the different mechanisms of drug transport. The combination of PLGA and biopolymers strongly influenced the morphology of the particles, offering the possibility of controlling the drug release profiles according to the therapy. 相似文献
87.
Sergii Sinelnikov Luydmila Orel Larisa Kobrina Valentyna Boiko Sergii Riabov Volodymir Shtompel Olga Povnitsa Svetlana Zagorodnya 《应用聚合物科学杂志》2021,138(23):50554
Polymer cross-linked matrices based on polyacrylamide (PAA) and β-cyclodextrin-pseudorotaxane have been designed. The structure and properties of the objects synthesized were confirmed and studied by a series of methods, involving ultraviolet-, Fourier transform infrared-spectroscopy, thermal mass spectrometry, DSC, X-ray diffraction analysis (WAXS and SAXS). Desorption kinetics (especially significant slowing of desorption process) of some drugs, like metoprolol succinate and loratadine from obtained polymer matrices is shown to be optimal with 10 wt% β-CD-pseudorotaxane in their structure. 相似文献
88.
Hossein Derakhshankhah Rana Jahanban-Esfahlan Somayeh Vandghanooni Sattar Akbari-Nakhjavani Bakhshali Massoumi Babak Haghshenas Aram Rezaei Amir Farnudiyan-Habibi Hadi Samadian Mehdi Jaymand 《应用聚合物科学杂志》2021,138(24):50578
Gelatin (Gel)-based pH- and thermal-responsive magnetic hydrogels (MH-1 and MH-2) were designed and developed as novel drug delivery systems (DDSs) for cancer chemo/hyperthermia therapy. For this goal, Gel was functionalized with methacrylic anhydride (GelMA), and then copolymerized with (2-dimethylaminoethyl) methacrylate (DMAEMA) monomer in the presence of methacrylate-end capped magnetic nanoparticles (MNPs) as well as triethylene glycol dimethacrylate (TEGDMA; as crosslinker). Afterward, a thiol-end capped poly(N-isopropylacrylamide) (PNIPAAm-SH) was synthesized through an atom transfer radical polymerization technique, and then attached onto the hydrogel through “thiol-ene” click grafting. The preliminary performances of developed MHs for chemo/hyperthermia therapy of human breast cancer was investigated through the loading of doxorubicin hydrochloride (Dox) as an anticancer agent followed by cytotoxicity measurement of drug-loaded DDSs using MTT assay by both chemo- and chemo/hyperthermia-therapies. Owing to porous morphologies of the fabricated magnetic hydrogels according to scanning electron microscopy images and strong physicochemical interactions (e.g., hydrogen bonding) the drug loading capacities of the MH-1 and MH-2 were obtained as 72 ± 1.4 and 77 ± 1.8, respectively. The DDSs exhibited acceptable pH- and thermal-triggered drug release behaviors. The MTT assay results revealed that the combination of hyperthermia therapy and chemotherapy has synergic effect on the anticancer activities of the developed DDSs. 相似文献
89.
Rajabali Ebrahimi 《应用聚合物科学杂志》2021,138(37):50931
The powerful waves of ultrasound are used in polymerization reactions in the absence of initiator. In the present research, the hydrogel was obtained by water-soluble acrylic monomers, starch, and the crosslinking agent of methylene bis acrylamide dissolved in water/glycerol dual. The hydrogel is formed by these waves only in viscous environments such as glycerol, heat, or initiator is not required. In the presence of ultrasound, the time of product formation is reduced to a few minutes. Moreover, the resulting hydrogels have more uniform microscopic structure and are more swollen. The structure of the grafted hydrogel was examined meanwhile the hydrogel swelling in three environments of pure water, saltwater, and under pressure was measured. It was found that the grafted hydrogel has double swelling rate in the pure. Also, after loading the ciprofloxacin into the synthesized hydrogel, this drug is released 99% in initial 20 min. 0.1 g starch in 1.5 g acrylic hydrogel has the most drug release. The high swelling capacity in the pH ranges of 5–9 shows the extension of drug application in acidic or alkaline environments, and also after several using the gel and the capacity of water absorbency, which was about 70% of its initial water, indicates the perfect reusability capacity of the gel. 相似文献
90.
The structure evolution of silk fibroin (SF) in the nanocomposite films with graphene oxide (GO) was investigated and related to the enzymatic degradability and release property. The interaction with GO was found to induce conformation transition of SF from random coil to β-sheet. However, the surface binding constrained the rearrangement of the silk chains, leading to a decrease of β-sheet when GO content was more than 1.0%. The crystal structure of SF played a key role in the degradation of GO/SF composites. The preferential degradation of the hydrophilic blocks resulted in a faster degradation of SF films with higher β-sheet content. The addition of GO to SF matrix led to a slower release and a reduction of the burst release of RhB, the model compound. The release profile was well fitted to the Rigter–Peppas equation, from which the characteristic constant decreased and the diffusional exponent increased with increasing GO content but quickly leveled off when GO content was more than 1.0%. Degradation of the composites had little influence on the characteristic constant of RhB release, however, led to an increased diffusional exponent, which was more evident for the composites with higher β-sheet content. 相似文献