Multispectral and Molecular Dynamics Study on the Interactions Between α-Amylase and Four Sesquiterpene Lactone Compounds [0.03%]
基于光谱及分子动力学的四种倍半萜内酯与α-淀粉酶相互作用研究
Xiaoyan Ma,Qianghui Mian,Chengyu Shi et al.
Xiaoyan Ma et al.
This study compared the inhibitory effects and mechanisms of four sesquiterpene lactones derived from Asteraceae plants on α-amylase using enzymatic kinetics, multi-spectral techniques, and molecular docking methods. It was found that comp...
Investigation of Intermolecular Interaction Between 4-Ethyl Phenyl Sulfate and Human Serum Albumin Using Spectroscopic Techniques and Molecular Docking Studies [0.03%]
基于分子对接和光谱技术探讨对乙基苯硫酸与人血清白蛋白间相互作用研究
Harsha Verma,Payal Gulati,Tabarak Malik et al.
Harsha Verma et al.
4-Ethyl phenyl sulfate (4-EPS), a gut microbiota-derived metabolite, is identified in ailments like chronic kidney disease (CKD) and numerous neurodegenerative conditions like autism spectrum disorders (ASD). This study is a novel attempt t...
Adsorption and Nonlinear Optical Properties of Ascorbic Acid on Silver Clusters: Experimental and DFT Study [0.03%]
维生素C在银团簇上的吸附及非线性光学性质：实验和DFT研究
J Suvetha Rani,U Reeta Felscia,S W Noah Eastman et al.
J Suvetha Rani et al.
The interaction between ascorbic acid (AA) and a silver nanocluster (Ag3) is investigated through a combined experimental and theoretical approach. Density Functional Theory (DFT) calculations at the B3PW91/6-311++G(d,p) and LanL2DZ levels ...
Synthesis, In Vitro Cholinesterase Inhibition, Molecular Docking, Density Functional Theory Analysis of Benzimidazole Based Hydrazone Schiff Bases [0.03%]
基于苯并咪唑腙席夫碱的合成、体外乙酰胆碱酯酶抑制作用、分子对接及密度泛函理论研究
Naqib Ahmad,Nida Ambreen,Muhammad Ayaz et al.
Naqib Ahmad et al.
Acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) are the main therapeutic targets for the treatment of neurodegenerative diseases, predominantly Alzheimer's disease. This work reports the synthesis, acetylcholinesterase (AChE) ...
Developing a Modular Platform for the Detection of microRNAs Using Rolling Circle Amplification and Multi-Primed Chain Amplification [0.03%]
基于滚环扩增和多引物链式信号放大技术的微流控芯片数字化检测microRNA平台研究
Mahboobeh Nasiri,Kyle Nowlin,Reza Zadegan
Mahboobeh Nasiri
MicroRNAs (miRNAs) play critical regulatory roles in diverse biological processes and are key biomarkers in a wide range of physiological and pathological conditions, including cancer. However, their inherently low concentrations in biologi...
The Conformational Landscape of AlphaFold2-Predicted Amyloidogenic Light Chains and Their Correlation With VL Domain Mutations and Aggregation Propensity [0.03%]
AlphaFold2预测的淀粉样原轻链的构象景观及其与VL域突变和聚集倾向的相关性
Sarita Puri,Ishaan Chaudhary,Arnav Khatri et al.
Sarita Puri et al.
Systemic light-chain amyloidosis (AL) is caused by the misfolding and aggregation of immunoglobulin light chains (LCs), which natively form homodimers comprising variable (VL) and constant (CL) domains in each monomer. High sequence variabi...
Correction to "Toward Understanding the Mechanism of Client-Selective Small Molecule Inhibitors of the Sec61 Translocon" [0.03%]
“关于‘去理解客户选择性小分子易位酶抑制剂的作用机制’一文的更正通知」的决定原文标题：“Correction to 'Toward Understanding the Mechanism of Client-Selective Small Molecule Inhibitors of the Sec61 Translocon'"已被撤销
Published Erratum
Journal of molecular recognition : JMR. 2025 Sep;38(5):e70010. DOI:10.1002/jmr.70010 2025
Computational Cross-Aggregation Study of Dengue Virus NS1, Capsid Anchor and 2k Peptides With Human Amylin, Aβ42 and α-Synuclein Peptides [0.03%]
登革病毒NS1、衣壳锚定和2k肽与人胰岛素淀粉样蛋白、Aβ42和α-突触核蛋白肽的计算交叉聚集研究
Dwaipayan Chaudhuri,Satyabrata Majumder,Kalyan Giri
Dwaipayan Chaudhuri
Dengue virus, an arbovirus, is the causal factor of thousands of deaths around the globe, although the long-term consequences of the same have not been elucidated in great detail. The virus encodes for a polyprotein, which is later cleaved ...
Coumarin-Based Allosteric Inhibition of PTP1B: A Potential Strategy for Metabolic Regulation [0.03%]
基于香豆素的PTP1B变构抑制作用：代谢调节的潜在策略
Emadeldin M Kamel,Doaa A Abdelrheem,Faris F Aba Alkhayl et al.
Emadeldin M Kamel et al.
Protein Tyrosine Phosphatase 1B (PTP1B) is a key metabolic regulator and a promising therapeutic target for type 2 diabetes and obesity. This study evaluated the inhibitory potential of four coumarins-Bergapten, Imperatorin, Xanthotoxol, an...
Multispectral Analysis and Molecular Simulation of the Interactions Between Perfluorodecanoic Acid/Perfluorosebacic Acid and Human Serum Albumin [0.03%]
人血清白蛋白与全氟化合物相互作用的多光谱分析及分子模拟研究
Xuewen Cai,Lu Zheng,Erdeng Du et al.
Xuewen Cai et al.
Per- and polyfluoroalkyl substances (PFASs) have raised significant environmental and health concerns due to their persistence and toxicity. The study employed a comprehensive analytical approach to clarify the interaction mechanisms betwee...