Investigation of inhibitory effect of sulfated chitosan oligomer on human heparanase enzyme: in silico and in vitro studies [0.03%]
硫酸化壳聚糖寡糖对人肝素酶的抑制作用研究：计算机辅助和体外实验研究
Samet Kocabay,M Abdullah Alagöz,Birnur Akkaya
Samet Kocabay
Deaths from cancer are widespread worldwide and the numbers continue to increase day by day. During the disease progression of cancer in cells, many of its metabolic activities change. Increased heparanase enzyme release is just one example...
Insilico screening to identify novel inhibitors targeting 30S ribosomal protein S12 in meningitis-causing organism ' Elizabethkingia meningoseptica' [0.03%]
用于筛查脑膜炎病原菌Elizabethkingia meningoseptica中针对30S核糖体蛋白S12的新抑制剂的计算机辅助药物筛选方法研究
Neha Girdhar,Vikas Yadav,Nilima Kumari et al.
Neha Girdhar et al.
The current trend in biomedical research is on prioritizing infections based on multidrug resistance. Elizabethkingia meningoseptica, a nosocomial infection-causing organism emerging from Neonatal Intensive Care Units (NICUs), leads to neon...
Structural and energetic analysis of NS5 protein inhibition by small molecules in Japanese encephalitis virus using machine learning and steered molecular dynamics approach [0.03%]
利用机器学习和受迫分子动力学方法分析小分子对日本脑炎病毒NS5蛋白抑制的结构与能量方面的变化
Abdulfattah Y Alhazmi,Farhan R Khan,Zia Ur Rehman et al.
Abdulfattah Y Alhazmi et al.
One of the viral diseases that affect millions of people around the world, particularly in developing countries, is Japanese encephalitis (JE). In this study, the conserved protein of this virus, that is, non-structural protein 5 (NS5), was...
Revolutionizing and identifying novel drug targets in Citrobacter koseri via subtractive proteomics and development of a multi-epitope vaccine using reverse vaccinology and immuno-informatics [0.03%]
通过减量蛋白质组学革新和识别Citrobacter koseri新型药物作用靶点及利用反向疫苗学和免疫信息学开发多表位疫苗
Israr Fatima,Fahad M Alshabrmi,Tariq Aziz et al.
Israr Fatima et al.
Citrobacter koseri is a gram-negative rod that has been linked to infections in people with significant comorbidities and immunocompromised immune systems. It is most commonly known to cause urinary tract infections. Thus, the development o...
Repurposing naproxen as a potential nucleocapsid antagonist of beta-coronaviruses: targeting a conserved protein in the search for a broad-spectrum treatment option [0.03%]
将萘普生重新定位为潜在的beta冠状病毒核衣壳拮抗剂：在寻找广谱治疗方案的过程中靶向保守蛋白
Reza Valadan,Reza Alizadeh-Navaei,Milad Lagzian et al.
Reza Valadan et al.
Ongoing mutations in the coronavirus family, especially beta-coronaviruses, raise new concerns about the possibility of new unexpected outbreaks. Therefore, it is crucial to explore new alternative treatments to reduce the impact of potenti...
Elucidating the EXOSC3-IRE1α interaction: a convergent study incorporating computational, in vitro and in vivo studies [0.03%]
EXOSC3-IRE1α相互作用的阐明：一项结合计算、体外和体内研究的收敛性研究
Ariha Ashraf,Younis Majeed,Irfan Gul et al.
Ariha Ashraf et al.
The Unfolded protein response (UPR) is an adaptive signalling pathway which is triggered by accumulation of unfolded/misfolded protein in ER lumen. The UPR consist of three transmembrane proteins-IRE1α, PERK and ATF6 that sense ER stress w...
Repurposing FDA-approved drugs as NLRP3 inhibitors against inflammatory diseases: machine learning and molecular simulation approaches [0.03%]
已获FDA批准的药物新用途作为NLRP3抑制剂对抗炎症疾病：机器学习和分子模拟方法
Vipul Agarwal,Rajesh Haldhar,Abdurahman Hajinur Hirad et al.
Vipul Agarwal et al.
Activation of NLRP3 (NOD-like receptor family, pyrin domain-containing protein 3) has been associated with multiple chronic pathologies, including diabetes, atherosclerosis, and rheumatoid arthritis. Moreover, histone deacetylases (HDACs), ...
Unraveling the atomic mechanisms underlying glyphosate insensitivity in EPSPS: implications of distal mutations [0.03%]
解开EPSPS中草甘膦不敏感性的原子机制：远端突变的意义
Ran Xu,Yiqiong Bao,Fangfang Jiao et al.
Ran Xu et al.
5-enolpyruvyl shikimate-3-phosphate synthase (EPSPS), as an indispensable enzyme in the shikimate pathway, is the specific target of grasser killer glyphosate (GPJ). GPJ is a competitive inhibitor of phosphoenolpyruvate (PEP), which is the ...
Binding site prediction between lysozyme and glucose-regulated protein 78, a hope to fight amyloidosis [0.03%]
溶菌酶和葡萄糖调节蛋白78的结合位点预测，对抗淀粉样变性病的一线希望
Ahmed M Elgharib,Wael M Elshemey,Abdo A Elfiky
Ahmed M Elgharib
Amyloidosis is an extraordinarily vigorous and heterogeneous group of disorders that causes numerous organ failures due to the precipitation of misfolded proteins. Many of these damaged proteins are discarded before causing any fatal diseas...
The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N-glycosylation unraveled by molecular dynamics simulations [0.03%]
分子动力学模拟揭示的随着N-糖基化数量增加的丙型肝炎病毒E2包膜蛋白的构象动力学
Sayan Poddar,Rajarshi Roy,Parimal Kar
Sayan Poddar
The Hepatitis C Virus (HCV), responsible for causing hepatitis and a significant contributor to liver disorders, presents a challenge for treatment due to its high genetic variability. Despite efforts, there is still no effective medication...