Computational choreography: dissecting the dance of hydrogen bonding and π-π stacking in the fluorescence discrimination mechanism of ciprofloxacin with supramolecular assembly [0.03%]
计算编舞：剖析环丙沙星超分子组装体系中氢键和π-π堆叠作用在荧光识别机制中的协同舞蹈效应
Jaymin Parikh,Keyur Bhatt,Krunal Modi et al.
Jaymin Parikh et al.
The detailed binding insight between the fluorophore and analyte plays a pivotal role in the design of an efficient chemosensor for water pollution. In this study, we designed a picolinic acid-functionalized calix[4]pyrrole ligand (PCACP). ...
ANN multi-layer perceptron for prediction of blood-brain barrier permeable compounds for central nervous system therapeutics [0.03%]
用于中枢神经系统药物的血脑屏障通透化合物预测的 ANN 多层感知器模型
Aditi Sharma,Subathra Selvam,Priya Dharshini Balaji et al.
Aditi Sharma et al.
Endothelial cells produce a semipermeable barrier known as the blood-brain barrier (BBB) to keep undesired chemicals out of the central nervous system (CNS). However, this barrier also restricts the exploration of potential new medications ...
Synergistic inhibition mechanism of quinazolinone and piperacillin on penicillin-binding protein 2a: a promising approach for combating methicillin-resistant Staphylococcus aureus [0.03%]
喹唑啉酮和哌拉西林对苯唑西林耐药表皮葡萄球菌PBPs的协同抑制机制：抗MRSA的一种有前景的方法
Fangfang Jiao,Weirong Cui,Pinkai Wang et al.
Fangfang Jiao et al.
The production of penicillin-binding protein 2a (PBP2a), a cell wall synthesis protein, is primarily responsible for the high-level resistance observed in methicillin-resistant Staphylococcus aureus (MRSA). PBP2a exhibits a significantly re...
Whole proteome screening to develop a potent epitope-based vaccine against Coxiella burnetii: a reverse vaccinology approach [0.03%]
全蛋白质组筛选以开发对抗Coxiella burnetii的高效表位疫苗：一种反向疫苗学方法
Ali Forouharmehr
Ali Forouharmehr
Coxiellosis is known as a threat to human health. This study aimed to develop an epitope-based vaccine against coxiellosis using a whole proteome investigation. In this case, the whole proteome of Coxiella burnetii was collected from the da...
Potential diagnostic value of serum microRNAs for 19 cancer types: a meta-analysis of bioinformatics data [0.03%]
血清microRNA对19种癌症的潜在诊断价值：生物信息学数据的元分析研究
ChauMyThanh Tran,PhongSon Dinh
ChauMyThanh Tran
Cancer is the second most common cause of mortality worldwide, accounting for almost 10 million deaths in 2020. These deaths were partly due to delayed diagnosis that led to deferred treatment. Therefore, new diagnostic methods are necessar...
Mechanistic insights into interactions between ionizable lipid nanodroplets and biomembranes [0.03%]
可电离脂质纳米滴与生物膜相互作用的机理研究
Petra Čechová,Markéta Paloncýová,Martin Šrejber et al.
Petra Čechová et al.
Delivery of RNA into cells using lipid nanoparticles (LNPs) has been a significant breakthrough in RNA-based medicine, with clinical applicability expanded through the use of ionizable lipids (ILs). These unique lipids can alter their charg...
A novel immunoinformatics approach for developing a poly-epitope vaccine targeting foot and mouth disease virus, exploiting structural VP proteins [0.03%]
针对口蹄疫病毒，利用结构VP蛋白开发多表位疫苗的一种新型免疫信息学方法
Muhammad Saad Bhutta,Muhammad Awais,Sahar Sadaqat et al.
Muhammad Saad Bhutta et al.
Foot and mouth Disease virus (FMDV) belongs to Picornaviridae family and Aphthovirus genus causing Foot and mouth disease (FMD) in cloven-hoofed animals. FMDV, a prevalent virus induces both acute and chronic infections with high mutation r...
Network-base approaches to identify therapeutic biomarkers in hepatocellular carcinoma and search for drug hunting utilizing molecular dynamics simulations [0.03%]
基于网络的方法在肝细胞癌中识别治疗生物标志物并利用分子动力学模拟寻找药物筛选靶点
Hassan Ayaz,Faisal Ahmad,Sajjad Ahmad et al.
Hassan Ayaz et al.
The presence of conditions like Alpha-1 antitrypsin deficiency, hemochromatosis, non-alcoholic fatty liver diseases and metabolic syndrome can elevate the susceptibility to hepatic cellular carcinoma (HCC). Utilizing network-based gene expr...
In silico strategies for identifying therapeutic candidates against Acinetobacter baumannii: spotlight on the UDP-N-acetylmuramoyl-L-alanine-D-glutamate:meso-diaminopimelate ligase (MurE) [0.03%]
针对鲍曼不动杆菌的治疗候选药物的计算机辅助鉴定策略：重点关注尿苷二磷酸-N-乙酰胞壁酸-L-丙氨酸-D-谷氨酸：中丁二胺联氨基庚二酸合成酶(MurE)
Ankit Kumar,Pratyaksha Singh,Ekampreet Singh et al.
Ankit Kumar et al.
The opportunistic bacterium Acinetobacter baumannii, which belongs to ESKAPE group of pathogenic bacteria, is leading cause of infections associated with gram-negative bacteria. Acinetobacter baumannii causes severe diseases, such as VAP (v...
Zingiberaceae-derived phytomolecules inhibit Japanese encephalitis virus RNA dependent RNA polymerase: a molecular dynamics study [0.03%]
来自姜科的植物分子抑制日本脑炎病毒依赖RNA的聚合酶：一项分子动力学研究
Aftab Alam,Asma Anjum,Ehssan H Moglad et al.
Aftab Alam et al.
The Japanese encephalitis virus, (JEV), is a flavivirus mostly transmitted by Culex mosquitoes mostly present in Southeast Asia and the Western Pacific region. Ardeid-wading birds are the natural reservoir of JEV; nonetheless, pigs are freq...