Multistate B- to A- transition in protein-DNA Binding - How well is it described by current AMBER force fields? [0.03%]
蛋白质-DNA结合中的多态B-到A-转变 - 当前的AMBER力场对其描述得有多好？
Petr Jurečka,Marie Zgarbová,Filip Černý et al.
Petr Jurečka et al.
When DNA interacts with a protein, its structure often undergoes a significant conformational adaptation, usually involving a transition from B-DNA towards the A-DNA form. This is not a two-state, but rather a multistate transition. The A- ...
Synthesis, spectroscopic analysis, and computational-based investigations on 'azo-coumarin-Co(II)-galangin' hybrids exhibit multipotential activities [0.03%]
'Azo-香豆素-Co(II)-姜黄素'杂化物的合成，光谱分析及基于计算的研究展现出多种生物活性
Shasank Sekhar Swain,Alaka Sahoo,Satya Ranjan Singh et al.
Shasank Sekhar Swain et al.
The present study synthesized a series of cobalt (II) metal ion frame hybrid candidates (6a-6f) bearing phyto-flavonol galangin with substituted aryl diazenyl coumarins, and further structural confirmation was validated by various spectral ...
A quinoxaline-based derivative exhibited potent and selective anticancer activity with apoptosis induction in PC-3 cells through Topo II inhibition [0.03%]
一种基于喹喔啉的衍生物通过Topo II抑制在PC-3细胞中诱导凋亡，表现出强大的选择性抗癌活性
Mayada E G Elsakka,Mohamed M Tawfik,Lamiaa A A Barakat et al.
Mayada E G Elsakka et al.
Quinoxaline constitutes a variety of derivatives that exhibit a range of biological characteristics, including anti-inflammatory and antitumor effects, and their importance in therapeutic chemistry is rising. The cytotoxicity effects of fou...
Amino acids and glycine derivatives differently affect refolding of mesophilic and thermophilic like α-amylases: implications in protein refolding and aggregation [0.03%]
氨基酸和甘氨酸衍生物对中温嗜热α-淀粉酶的复性有不同的影响：对蛋白质复性和聚集的影响
Aziz Ahmad,Prachi Joshi,Rajesh Mishra
Aziz Ahmad
α-amylases are industrially important enzymes which are used in different starch-based industries. They are adapted to different environmental conditions like extremes of temperature, pH and salinity. Herein, α-amylases from Bacillus amyl...
Structural insights into non-hotspot KRAS mutations and their potential as targets for effective cancer therapies [0.03%]
非热点KRAS突变的结构见解及其作为有效癌症治疗靶点的潜力
Cong Ding,Gaoyuan Wang,Wenqing Zou et al.
Cong Ding et al.
Kirsten rat sarcoma virus protein (KRAS) is a protein that plays a central role in signal transduction using extracellular signal regulated kinase (ERK) and mitogen activated protein kinase (MAPK) cellular signaling pathway. KRAS is a frequ...
In-silico analysis of potential anticancer drug for NEK7 and PPP1CA proteins overexpressed in pancreatic ductal adenocarcinoma [0.03%]
胰腺导管腺癌中NEK7和PPP1CA蛋白过表达的潜在抗癌药物的仿真分析
Safa Adrees,Anam Imtiaz,Aiman Yaseen et al.
Safa Adrees et al.
NIMA-related kinase 7 (NEK7) and phosphoprotein phosphatase-1 catalytic subunit alpha (PPP1CA) are the most common proteins overexpressed in pancreatic ductal adenocarcinoma, which is the most common type of pancreatic cancer. The goal of t...
A new trivalent recombinant protein for type 2 diabetes mellitus with oral delivery potential: design, expression, and experimental validation [0.03%]
一种新的可用于口服治疗2型糖尿病的三价重组蛋白：设计、表达和实验验证
Maryam Ehsasatvatan,Bahram Baghban Kohnehrouz
Maryam Ehsasatvatan
Glucagon-like peptide-1 (GLP-1) receptor agonists are increasingly used in clinical practice for the management of type 2 diabetes mellitus. However, the extremely short half-life of GLP-1 and the need for subcutaneous administration limit ...
Molecular interaction of quercetin and its derivatives against nucleolin in breast cancer: in-silico and in-vitro study [0.03%]
黄酮及其衍生物在乳腺癌中通过与核仁素分子相互作用发挥抗癌活性的体内外研究
Siuli Shaw,Mukesh Chourasia,Ranu Nayak et al.
Siuli Shaw et al.
Nucleolin, a multifaceted RNA binding domain protein is overexpressed in various cancers leading to dysfunction of several cellular signaling pathways. Quercetin, a distinctive bioactive molecule, along with its derivatives have shown exclu...
Multiomics-based classifier to decipher immune landscape of uveal melanoma and predict patient outcomes [0.03%]
基于多组学的分类器解析葡萄膜黑色素瘤的免疫景观并预测患者预后
Yuan Zhang,Ni Shen,Aimin Jiang et al.
Yuan Zhang et al.
Uveal melanoma (UVM) prognosis and the possibilities for targeted therapy depend on a thorough understanding of immune infiltration features and the analysis of genomic and immune signatures. Leveraging multi-omics data from The Cancer Geno...
Machine learning-based virtual screening and molecular modelling studies for identification of butyrylcholinesterase inhibitors as anti-Alzheimer's agent [0.03%]
基于机器学习的虚拟筛选和分子建模研究用于识别丁酰胆碱酯酶抑制剂作为抗阿尔茨海默病药物
Ankit Ganeshpurkar,Likhit Akotkar,Devendra Kumar et al.
Ankit Ganeshpurkar et al.
Butyrylcholinesterase (BChE) is a hydrolase involved in the metabolism and detoxification of specific esters in the blood. It is also implicated in the progression of Alzheimer's disease, a type of dementia. As the disease progresses, the l...