Charge transfer enhanced magnetic correlations in type-II multiferroic Co3TeO6 [0.03%]
II型多铁Co3TeO6中的电荷转移增强磁相关性
Chi-Hung Lee,Erdembayalag Batsaikhan,Ma-Hsuan Ma et al.
Chi-Hung Lee et al.
Magnetic structure of the Co ions in monoclinic Co3TeO6 in the antiferroelectric state at 16 K has been determined by neutron powder together with single-crystal diffractions. The indices of the magnetic reflections that appear at the incom...
Synthesis, crystal structure elucidation, DFT analysis, drug-likeness and ADMET evaluation and molecular docking studies of triazole derivatives: Binary inhibition of spike protein and ACE2 receptor protein of COVID-19 [0.03%]
三唑衍生物的合成、晶体结构解析、DFT分析、类药性及ADMET评价和分子对接研究：抑制COVID-19 Spike蛋白和ACE2受体蛋白的二元抑制作用研究
Saminathan Murugavel,Perumal Vasudevan,RaviKumar Chandrasekaran et al.
Saminathan Murugavel et al.
The recent incidence of terrible acute respiratory syndrome coronavirus 2 (SARS CoV-2) has presently experienced some noteworthy mutations since its discovery in 2019 in Wuhan, China. The present research work focuses on the synthesis of th...
Cytotoxicity, anti-microbial studies of M(II)-dithiocarbamate complexes, and molecular docking study against SARS COV2 RNA-dependent RNA polymerase [0.03%]
含M(II)的二硫代氨基甲酸盐复合物的细胞毒性和抗菌研究以及针对SARS COV2 RNA依赖性RNA聚合酶的分子对接研究
Ahmed S M Al-Janabi,Abdulrahman M Saleh,Mohammad R Hatshan
Ahmed S M Al-Janabi
Ten transition metal dithiocarbamate (DTC)complexes of the type [M(κ 2-Et2DT)2] (1-5), and [M(κ 2-PyDT)2] (6-10) (where M = Co, Ni, Cu, Pd, and Pt; Et2DT = diethyl dithiocarbamate; PyDT = pyrrolidine dithiocarbamate) were synthesized and ...
Design of Angiotensin-converting Enzyme 2 (ACE2) Inhibitors by Virtual Lead Optimization and Screening [0.03%]
基于虚拟筛选和优化的血管紧张素转换酶2（ACE2）抑制剂的设计
Juan E Torres,Rosa Baldiris,Ricardo Vivas-Reyes
Juan E Torres
A group of presumed drug-like molecules that possess high in silico affinity for angiotensin-converting enzyme 2 were computationally designed. This enzyme is a promising new target in both cardiorenal disease and some coronavirus infection...
Homology Models and Molecular Dynamics Simulations of Main Proteinase from Coronavirus Associated with Severe Acute Respiratory Syndrome (SARS) [0.03%]
有关严重急性呼吸系统综合症（SARS）冠状病毒主要蛋白酶的同源模建及分子动力学模拟研究
Hsuan-Liang Liu,Jin-Chung Lin,Yih Ho et al.
Hsuan-Liang Liu et al.
In this study, two structural models (denoted as MproST and MproSH) of the main proteinase (Mpro) from the novel coronavirus associated with severe acute respiratory syndrome (SARS-CoV) were constructed based on the crystallographic structu...
Zhiqiang Ma,Chuo Chen
Zhiqiang Ma
Natural products have played an important role in shaping modern synthetic organic chemistry. In particular, their complex molecular skeletons have stimulated the development of many new synthetic methods. We highlight in this article some ...