CarSitePred: an integrated algorithm for identifying carbonylated sites based on KNDUA-LNDOT resampling technique [0.03%]
Carbonylated位点识别的综合算法CarSitePred：基于KNDUA-LNDOT重采样技术
Yun Zuo,Jingrun Zhang,Wenying He et al.
Yun Zuo et al.
Carbonylated sites are the determining factors for functional changes or deletions in carbonylated proteins, so identifying carbonylated sites is essential for understanding the process of protein carbonylated and exploring the pathogenesis...
In silico investigations and molecular insights for designing tRNA-encoded peptides as potential therapeutics for targeting over-expressed receptors in breast cancer [0.03%]
针对乳腺癌中过表达的受体设计tRNA编码肽作为潜在治疗药物的计算机模拟研究和分子见解
Pallavi M Shanthappa,Nidheesh Melethadathil
Pallavi M Shanthappa
tRNA- Encoded Peptides (tREPs) have recently been discovered as new functional peptides and hold promise as therapeutics for anti-parasitic applications. In this study, in silico investigations were conducted to design tRNA-encoded peptides...
Intelligent deep learning-based disease monitoring system in 5G network using multi-disease big data [0.03%]
基于多疾病大数据的5G网络中的智能深度学习疾病监测系统
Anupam Das
Anupam Das
Recently, real-world disease monitoring techniques designed based on wearable medical equipment efficiently minimize the mortality rate. Initially, the data are manually collected from the patients to predict five diseases using 5 G framewo...
Anti-diabetic drug discovery using the bioactive compounds of Momordica charantia by molecular docking and molecular dynamics analysis [0.03%]
分子对接和分子动力学分析在丝瓜生物活性化合物抗糖尿病药物研发中的应用
Abbas Alam Choudhury,Mohanapriya Arumugam,Nirmaladevi Ponnusamy et al.
Abbas Alam Choudhury et al.
Diabetes mellitus (DM) is a multifactorial life-threatening endocrine disease characterized by abnormalities in glucose metabolism. It is a chronic metabolic disease that involves multiple enzymes such as α-amylase and α-glucosidases. Inh...
A comprehensive bioinformatics analysis identifies mitophagy biomarkers and potential Molecular mechanisms in hypertensive nephropathy [0.03%]
全面的生物信息学分析确定了高血压肾病中的线粒体自噬标志物和潜在分子机制
Jiayou Liu,Luda Feng,Qi Jia et al.
Jiayou Liu et al.
Mitophagy, the selective removal of damaged mitochondria, plays a critical role in kidney diseases, but its involvement in hypertensive nephropathy (HTN) is not well understood. To address this gap, we investigated mitophagy-related genes i...
3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies [0.03%]
基于3D-QSAR的喹唑啉衍生物药效团建模，通过虚拟筛选、分子对接、分子动力学和DFT研究识别乙酰胆碱酯酶抑制剂
Vijay Kumar,Kailash Jangid,Naveen Kumar et al.
Vijay Kumar et al.
Alzheimer's disease (AD) is a progressive neurological disorder responsible for the cognitive dysfunction and cognitive impairment in the patients. Acetylcholinesterase inhibitors (AChEIs) are used to treat AD however, these only provided s...
An evaluation of the antioxidant potential and in vitro enzyme inhibition profile of selected bryophytes from Northeast Anatolia (Türkiye) [0.03%]
来自土耳其东北部的某些苔类的抗氧化潜能和体外酶抑制特性的评估研究
Melike Yildirim Akatin,Faik Ahmet Ayaz,Gulsum Merve Boyraci et al.
Melike Yildirim Akatin et al.
Interest in the use of bryophytes in pharmaceutical, cosmetic, and food industrial applications is growing worldwide due to their secondary metabolites. In this study, n-hexane crude extracts and further fractions (aqueous, ethyl acetate an...
In-silico molecular docking and molecular dynamic simulation of γ-elemene and caryophyllene identified from the essential oil of Kaempferia galanga L. against biofilm forming proteins, CrtM and SarA of Staphylococcus aureus [0.03%]
从姜黄属植物精油中鉴定的γ-艾油精和石竹烯对金黄色葡萄球菌生物膜形成蛋白CrtM和SarA的计算机模拟分子对接及分子动态模拟研究
Vanshika Sharma,Bhaskarjyoti Gogoi,Siddhartha Narayan Borah et al.
Vanshika Sharma et al.
Medicinal plants play an important role as antimicrobials by inhibiting various key targets of diverse microorganisms. A major antimicrobial component of plants is its essential oil, which are increasingly being studied for their antimicrob...
Computational investigation on the conformational dynamics of C-terminal truncated α-synuclein bound to membrane [0.03%]
C末端截短的与膜结合的α-突触核蛋白构象动力学的计算研究
Dorothy Das,Venkata Satish Kumar Mattaparthi
Dorothy Das
Accelerated progression rates in Parkinson's disease (PD) have been linked to C-terminal domain (CTD) truncations of monomeric α-Synuclein (α-Syn), which have been suggested to increase amyloid aggregation in vivo and in vitro. In the bra...
Computational exploration of the genomic assignments, molecular structure, and dynamics of the ccdABXn2 toxin-antitoxin homolog with its bacterial target, the DNA gyrase, in the entomopathogen Xenorhabdus nematophila [0.03%]
肠病原体Xenorhabdus nematophila中ccdBAXn2毒素抗毒素同源物的基因组分配、分子结构和动力学及其细菌靶标DNA促旋酶的计算探索
Shobhi Chaudhary,Waseem Ali,Mohit Yadav et al.
Shobhi Chaudhary et al.
Toxin-antitoxin (TA) modules, initially discovered on bacterial plasmids and subsequently identified within chromosomal contexts, hold a pivotal role in the realm of bacterial physiology. Among these, the pioneering TA system, ccd (Control ...