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Alberto Pla-Lpez Raquel Castillo Rocío Cejudo-Marín Olaya García-Pedrero Mariam Bakir-Laso Eva Falomir Miguel Carda 《International journal of molecular sciences》2022,23(13)
Twenty-six triazole-based derivatives were designed for targeting both PD-L1 (programmed death receptor ligand 1) and VEGFR-2 (vascular endothelial growth factor receptor 2). These compounds were synthetized and biologically evaluated as multitarget inhibitors of VEGFR-2, PD-L1 and c-Myc proteins. The antiproliferative activity of these molecules on several tumor cell lines (HT-29, A-549, and MCF-7) and on the non-tumor cell line HEK-293 was determined. The effects on the abovementioned biological targets were evaluated for some selected compounds. Compound 23, bearing a p-chlorophenyl group, showed better results than sorafenib in regard to the downregulation of VEGFR-2 and a similar effect to BMS-8 on both PD-L1 and c-Myc proteins. The antiangiogenic and antivascular activities of chloro derivatives were also established by endothelial microtube formation assay on Matrigel®. 相似文献
13.
Rosa Luisa Potenza Pietro Lodeserto Isabella Orienti 《International journal of molecular sciences》2022,23(13)
Recently, several chemotherapeutic drugs have been repositioned in neurological diseases, based on common biological backgrounds and the inverse comorbidity between cancer and neurodegenerative diseases. Fenretinide (all-trans-N-(4-hydroxyphenyl) retinamide, 4-HPR) is a synthetic derivative of all-trans-retinoic acid initially proposed in anticancer therapy for its antitumor effects combined with limited toxicity. Subsequently, fenretinide has been proposed for other diseases, for which it was not intentionally designed for, due to its ability to influence different biological pathways, providing a broad spectrum of pharmacological effects. Here, we review the most relevant preclinical and clinical findings from fenretinide and discuss its therapeutic role towards cancer and neurological diseases, highlighting the hormetic behavior of this pleiotropic molecule. 相似文献
14.
保健食品中非法添加化学药物的市场乱象受到广泛关注.本文一方面,总结当前减肥类保健食品非法添加化学药物的种类、化学药物名单.减肥类保健食品非法添加主要包含食欲抑制剂、能量消耗增强剂、利尿剂、吸收抑制剂、缓泻药和其他类药物;通过查阅近年来文献报道的减肥类保健食品非法添加文章和案例,列出当前已纳入监管范围的减肥类保健食品非法... 相似文献
15.
Sandra Brasil Mariateresa Allocca Salvador C. M. Magrinho Inês Santos Madalena Raposo Rita Francisco Carlota Pascoal Tiago Martins Paula A. Videira Florbela Pereira Giuseppina Andreotti Jaak Jaeken Kristin A. Kantautas Ethan O. Perlstein Vanessa dos Reis Ferreira 《International journal of molecular sciences》2022,23(15)
Advances in research have boosted therapy development for congenital disorders of glycosylation (CDG), a group of rare genetic disorders affecting protein and lipid glycosylation and glycosylphosphatidylinositol anchor biosynthesis. The (re)use of known drugs for novel medical purposes, known as drug repositioning, is growing for both common and rare disorders. The latest innovation concerns the rational search for repositioned molecules which also benefits from artificial intelligence (AI). Compared to traditional methods, drug repositioning accelerates the overall drug discovery process while saving costs. This is particularly valuable for rare diseases. AI tools have proven their worth in diagnosis, in disease classification and characterization, and ultimately in therapy discovery in rare diseases. The availability of biomarkers and reliable disease models is critical for research and development of new drugs, especially for rare and heterogeneous diseases such as CDG. This work reviews the literature related to repositioned drugs for CDG, discovered by serendipity or through a systemic approach. Recent advances in biomarkers and disease models are also outlined as well as stakeholders’ views on AI for therapy discovery in CDG. 相似文献
16.
Minami Yamauchi Toshihiro Sato Ayana Otake Masaki Kumondai Yu Sato Masafumi Kikuchi Masamitsu Maekawa Hiroaki Yamaguchi Takaaki Abe Nariyasu Mano 《International journal of molecular sciences》2022,23(15)
Patients with liver diseases not only experience the adverse effects of liver-metabolized drugs, but also the unexpected adverse effects of renally excreted drugs. Bile acids alter the expression of renal drug transporters, however, the direct effects of bile acids on drug transport remain unknown. Renal drug transporter organic anion-transporting polypeptide 4C1 (OATP4C1) was reported to be inhibited by chenodeoxycholic acid. Therefore, we predicted that the inhibition of OATP4C1-mediated transport by bile acids might be a potential mechanism for the altered pharmacokinetics of renally excreted drugs. We screened 45 types of bile acids and calculated the IC50, Ki values, and bile acid–drug interaction (BDI) indices of bile acids whose inhibitory effect on OATP4C1 was >50%. From the screening results, lithocholic acid (LCA), glycine-conjugated lithocholic acid (GLCA), and taurine-conjugated lithocholic acid (TLCA) were newly identified as inhibitors of OATP4C1. Since the BDI index of LCA was 0.278, LCA is likely to inhibit OATP4C1-mediated transport in clinical settings. Our findings suggest that dose adjustment of renally excreted drugs may be required in patients with renal failure as well as in patients with hepatic failure. We believe that our findings provide essential information for drug development and safe drug treatment in clinics. 相似文献
17.
在存在杂波、漏检、目标数目未知和变化的情况下,PHD滤波器是一种多目标跟踪新方法,GM-PHD滤波器是PHD滤波器的一种近似实现。然而,GM-PHD滤波器没有提供单个目标状态估计的身份,而构建目标运动轨迹需要目标状态估计的身份,同时,现有的GM-PHD滤波器在新目标密度生成时对新目标出现位置进行了限制,难以对观测空间任意位置随机出现的目标进行跟踪。为解决非线性观测系统GM-PHD滤波器中目标状态估计的身份标识和新目标密度生成问题,设计了一种新的GM-PHD滤波器。该滤波器利用传感器的观测数据生成新目标密度,通过给滤波器输出的高斯项增加专有身份标识并使用身份标识将源于同一目标不同时刻的目标状态估计关联起来。仿真实验验证了滤波算法的有效性。 相似文献
18.
Karolina Maciejewska Kamila Czarnecka Pawe Krcisz Dorota Niedziaek Grzegorz Wieczorek Robert Skibiski Pawe Szymaski 《International journal of molecular sciences》2022,23(11)
A series of new cyclopentaquinoline derivatives with 9-acridinecarboxylic acid and a different alkyl chain length were synthesized, and their ability to inhibit cholinesterases was evaluated. All designed compounds, except derivative 3f, exhibited a selectivity for butyrylcholinesterase (BuChE) with IC50 values ranging from 103 to 539 nM. The 3b derivative revealed the highest inhibitory activity towards BuChE (IC50 = 103.73 nM) and a suitable activity against AChE (IC50 = 272.33 nM). The 3f derivative was the most active compound to AChE (IC50 = 113.34 nM) with satisfactory activity towards BuChE (IC50 = 203.52 nM). The potential hepatotoxic effect was evaluated for both 3b and 3f compounds. The 3b and 3f potential antioxidant activity was measured using the ORAC-FL method. The 3b and 3f derivatives revealed a significantly higher antioxidant potency, respectively 35 and 25 higher than tacrine. Theoretical, physicochemical, and pharmacokinetic properties were calculated using ACD Labs Percepta software. Molecular modeling and kinetic study were used to reveal the mechanism of cholinesterase inhibition in the most potent compounds: 3b and 3f. 相似文献
19.
目的 建立一种无需标准品即可快速检测保健品中136种非法添加降血压药物的超高效液相色谱-四极杆/静电场轨道阱高分辨质谱分析方法。方法 样品经甲醇溶液适当稀释,超声处理后,经Waters Acquity BEH C18色谱柱(100 mm×2.1 mm, 1.7μm)分离,以0.1%(V:V)甲酸水溶液-乙腈作为流动相,进行梯度洗脱。将采集的样品质谱信息与自建立的136种非法添加降血压药物质谱信息库通过分子离子精准质量数比对、同位素分布比对进行初筛,初筛出的阳性化合物通过二级碎片离子解析进行进一步确证。结果 该方法能够在没有标准品的情况下,在20 min内对保健食品中136种非法添加降压药物同时进行精准筛查, 14种降压药物的添加回收实验表明实际样品的检出限在2.0~3.0μg/kg,采用本方法对市售实际样品进行检验, 1款声称具有降血脂的保健食品中有坎地沙坦酯检出。结论 该方法通量高、速度快、成本低,可用于保健食品中非法添加降血压药物的快速筛查。 相似文献
20.
Qualitative identification of THz spectra of illicit drugs using self-organization feature map (SOM) artificial neural network has been demonstrated. In this paper, investigation results show that SOM has quantitatively identified drug mixtures successfully. Based on Beer’s law THz spectra data of various drug proportions were made for training dates. After analyzing the clustering algorithm of SOM, we introduced a parameter named shortest distance as a quantitative criterion for identification result. By this parameter, an automatic recognition algorithm has been developed and successfully applied to the content identification of experimental samples. Combined with our previous work, the SOM neural network can be an integrated and effective method in the identification the THz spectra of illicit drugs. 相似文献