Deciphering the role of chondroitin sulfate a in insulin fibrillation at room temperature: a biophysical and computational perspective [0.03%]
从生物物理和计算角度解读透明质素A在室温下胰岛素纤维化中的作用：理论与实验结合研究
Malik Hisamuddin,Irum Rizvi,Ajamaluddin Malik et al.
Malik Hisamuddin et al.
Chondroitin sulfate A (CSA), a natural mucopolysaccharide of the extracellular matrix, plays a critical role in amyloidogenesis. This study explores the interaction between CSA and human insulin, with emphasis on conformational transitions ...
Comparative molecular dynamics reveal ligand-dependent structural and dynamic determinants of dipeptidyl peptidase IV recognition and inhibition [0.03%]
比较分子动力学揭示了底物依赖的结构和动态决定因素肽基肽酶Ⅳ识别及抑制作用
Wafa Ali Eltayb,Mohnad Abdalla,Sami Fatehi Abdalla et al.
Wafa Ali Eltayb et al.
Dipeptidyl peptidase 4 (DPP4/CD26) is a clinically relevant serine protease involved in metabolic, immunological and viral processes. Although several crystal structures of DPP4-ligand complexes have been reported, the dynamic features that...
Substrates reconfigure picosecond electric field fluctuations in dihydrofolate reductase [0.03%]
底物分子重组二氢叶酸还原酶中的皮秒级电场波动现象
Purbaj Pant,Gabriel Žoldák,Krishna P Khakurel
Purbaj Pant
Enzymes dramatically accelerate reaction rates, yet the detailed mechanisms of enzymatic catalysis, particularly the role of rapid electrostatic fluctuations, remain elusive. This study investigates pico- and nanosecond dynamics within dihy...
Correction [0.03%]
改正
Studies on single domain antibodies VHH against FAPα as potential cancer therapeutics [0.03%]
靶向FAPα的单域抗体VHH作为潜在癌症治疗药物的研究
Manoj Kumar Sabnani,Sanket Bapat,Neeraj Maheshwari et al.
Manoj Kumar Sabnani et al.
Fibroblast activation protein-α (FAPα) is a serine protease highly expressed on cancer-associated fibroblasts (CAFs) within the tumor microenvironment (TME), where it contributes to immunosuppression and correlates with poor patient progn...
Enhancing immune-mediated cancer cell engulfment through biophysical techniques: an in-silico investigation focusing on the peptide-mediated disruption of a C1q-gC1qR(p33) interaction [0.03%]
通过生物物理技术增强免疫介导的癌细胞吞噬作用：以干扰C1q-gC1qR（p33）相互作用的肽为焦点的计算机模拟研究
Mona H Ibraheim,Ibrahim Maher,Ibrahim Khater
Mona H Ibraheim
Tumor cells, being "self-modified," present altered antigens that could theoretically elicit immune recognition and autoantibody production. However, secreted gC1qR forms a protective shield by binding to C1q globular heads, potentially pre...
DNA-targeting potential and biomedical applications of selected phenolic Schiff base metal complexes: a molecular biology-oriented supported by computational study [0.03%]
基于计算研究的分子生物学导向的选择酚类席夫碱金属配合物的DNA靶向潜能及生物医学应用
Ibrahim Omar Barnawi
Ibrahim Omar Barnawi
Metal-based compounds continue to attract considerable attention as bioactive agents due to their versatile coordination behavior and ability to modulate biomolecular structure and function. In this study, a phenolic Schiff base ligand, 2-[...
Integrated computational protocol for sampling molecular databases towards allosteric inhibition of SARS-CoV-2 spike activation [0.03%]
整合计算协议采样分子数据库以实现SARS-CoV-2刺突激活的别构抑制作用
Vanda Boršová,Dávid Zajaček,Lukas Bucinsky et al.
Vanda Boršová et al.
The opening of the receptor-binding domain of the SARS-CoV-2 spike (S) glycoprotein is a key conformational change required for viral entry. In this work, we use an integrated computational approach to evaluate how small molecules may allos...
Synergistic effects of glucose and reactive dicarbonyls on glycation process of serum albumin: a DoE-based FTIR and CD study [0.03%]
基于DoE的FTIR和CD研究中糖和活性二羰基化合物对血清白蛋白焦糖化过程的协同作用
Pavan Kumar Sathala,Arindam Senapati,Laltanpuii Chenkual et al.
Pavan Kumar Sathala et al.
Non-enzymatic glycation of serum albumin by reducing sugars and reactive carbonyls was implicated in altered ligand transport and protein deposition in metabolic disease, representing a critical molecular link between chronic hyperglycemia ...