Molecular dynamic analyses of the interaction of SARS-CoV-1 or 2 variants with various angiotensin-converting enzyme-2 species [0.03%]
SARS-CoV-1或2变异体与各种血管紧张素转换酶-2种系相互作用的分子动态分析
Abeer S Aloufi,Amr Ahmed El-Arabey,Wafa Ali Eltayb et al.
Abeer S Aloufi et al.
The transmembrane glycoprotein angiotensin-converting enzyme 2 (ACE2) is a key component of the renin-angiotensin system (RAS). It was shown to be the receptor of severe acute respiratory syndrome coronavirus 2 in the COVID-19 outbreak (SAR...
Identification of characteristic genes and herbal compounds for the treatment of psoriasis based on machine learning and molecular dynamics simulation [0.03%]
基于机器学习和分子动力学模拟识别治疗银屑病的特征基因和中药化合物
Wenchao Dan,Shuying Lv,Wenya Gao et al.
Wenchao Dan et al.
Psoriasis brings economic and mental burdens to patients, the exact etiology and pathogenesis of psoriasis are still unclear. Compounds of herbal medicine have the potential for psoriasis treatment. This study aims to explore the characteri...
Biochemical and biophysical characterization of biosynthetic arginine decarboxylase from Thermus thermophilus [0.03%]
来自嗜热栖热菌的生物合成组氨酸脱羧酶的生化和生物物理特征分析
Veerapandiyan Malaisamy,Karthika Alagesan,Hemavathy Nagarajan et al.
Veerapandiyan Malaisamy et al.
The biosynthetic arginine decarboxylase in Thermus thermophilus is responsible for producing spermidine, a polyamine with numerous biological applications in humans. The arginine decarboxylase has significant applications in biotechnology i...
Molecular dynamics simulation as a promising approach for computational study of liquid crystal-based aptasensors [0.03%]
基于液晶的适配体传感器计算研究中分子动力学模拟作为一种有前景的方法
Hamed Zahraee,Seyed Shahriar Arab,Zahra Khoshbin et al.
Hamed Zahraee et al.
As a potent computational methodology, molecular dynamics (MD) simulation provides advantageous knowledge about biological compounds from the molecular viewpoint. In particular, MD simulation gives exact information about aptamer strands, s...
Nanotechnology for controlling mango malformation: a promising approach [0.03%]
用于控制芒果畸形的纳米技术：一种有前景的方法
Muhammad Shahbaz,Jaya Seelan Sathiya Seelan,Fozia Abasi et al.
Muhammad Shahbaz et al.
Mango (Mangifera indica L.) is one of the most important fruit crops in the world with yields of approximately 40 million tons annually and its production continues to decrease every year as a result of the attack of certain pathogens i.e. ...
Computational investigations into structure and function impact of novel mutations identified in targeted exons from ovarian cancer cell lines [0.03%]
计算调查在卵巢癌细胞系中鉴定的新突变对结构和功能的影响
Rucha M Wadapurkar,Aruna Sivaram,Renu Vyas
Rucha M Wadapurkar
The lack of sensitive and specific biomarkers for ovarian cancer leads to late stage diagnosis of the disease in a majority of the cases. Mutation accumulation is the basis for cancer progression, thus identifying mutations is an important ...
Identifying inflammation-related targets of natural lactones using network pharmacology, molecular modeling and in vitro approaches [0.03%]
利用网络药理学，分子建模和体外研究方法识别天然内酯类化合物的抗炎相关靶点
Nancy Tripathi,Poorvi Saraf,Nivedita Bhardwaj et al.
Nancy Tripathi et al.
Natural lactones have been used in traditional and folklore medicine for centuries owing to their anti-inflammatory properties. The study uses a multifaceted approach to identify lead anti-inflammatory lactones from the SISTEMATX natural pr...
Synthesis of 4-sulfamoyl phenyl diazocarboxylic acid derivatives as novel non-classical inhibitors of human carbonic anhydrase II activity: an in vitro study [0.03%]
4-磺酰基苯偶氮羧酸衍生物的合成作为新型非经典的人碳酐酶II活性抑制剂：一项体外研究
Nima Fatahian Bavandpour,Maryam Mehrabi,Hadi Adibi et al.
Nima Fatahian Bavandpour et al.
The first class of carbonic anhydrase inhibitors (CAIs) discovered was sulfonamides, but their clinical use is limited due to side effects caused by their inhibition of multiple CA isoforms. To overcome this, researchers have focused on dev...
A discovery of potent kaempferol derivatives as multi-target medicines against diabetes as well as bacterial infections: an in silico approach [0.03%]
kaempferol衍生物作为多效药物对糖尿病以及细菌感染的发现：一种虚拟筛选方法
Shagufta Parveen,Saman Shehzadi,Nusrat Shafiq et al.
Shagufta Parveen et al.
Flavonoids demonstrate beneficial effects on human health because flavonoids contain important biological properties. Kaempferol is a flavonol, type of flavonoid found in eatable plants and in plants usually employed in ancient drugs (Morin...
Identification and characterization of domain-specific inhibitors of DENV NS3 and NS5 proteins by in silico screening methods [0.03%]
通过计算筛选方法鉴定和表征登革热病毒NS3和NS5蛋白质的特异性抑制剂
Johnson Samuel,Sanjay Ghosh,Saravanamuthu Thiyagarajan
Johnson Samuel
The dengue virus (DENV) infects approximately 400 million people annually worldwide causing significant morbidity and mortality. Despite advances in understanding the virus life cycle and infectivity, no specific treatment for this disease ...