Exploring the Electronic Influence on Coordination Complexes formed from appended Pyrrolidine Azothioformamide Ligands and Copper(I) salts [0.03%]
研究附有吡咯烷唑硫甲酰胺配体和铜(I)盐的配合物中的电子影响
Laxmi Tiwari,Zachariah M Heiden,Kristopher V Waynant
Laxmi Tiwari
Redox-active arylazothioformamide (ATF) ligands have seen attention through their unique coordination complexes formed with late transition metals and their known ability to oxidatively dissolve zerovalent metals. When mixed with Cu(I) salt...
Synthesis of new vitamin K derivatives with a ketone group at the C-1' position of the side chain and their conversion to menaquinone-4 [0.03%]
C-1'位酮基维生素K衍生物的合成及其转化为甲萘醌-4
Natsuko Furukawa,Xuejie Chen,Satoshi Asano et al.
Natsuko Furukawa et al.
Prior to being utilized in the body, dietary vitamin K homologues are converted to menaquinone-4 (MK-4) by cleavage of the side chain part followed by prenylation. We predicted that the prenylation would occur due to the electron deficiency...
Small Molecule Regulation of Iron Homeostasis: Design and Optimization of Novel Iron Chelators Based on a Thiosemicarbazone Scaffold [0.03%]
基于噻二唑酮支架的小分子铁调节剂的设计及优化
Christian S Parry,Yue Li,Samuel Kojo Kwofie et al.
Christian S Parry et al.
Disrupted iron balance causes anemia and iron overload leading to hypoxia and systemic oxidative stress. Iron overload may arise from red blood cell disorders such as sickle cell disease, thalassemia major and primary hemochromatosis, or fr...
Synthesis and Biological Evaluation of 20(S)-Substituted FL118 Conjugates as Novel Antitumor Agents [0.03%]
一类新型抗肿瘤剂20(S)-取代FL118衍生物的合成与活性评价
Jiewei Lai,Mengke Wang,Weitong Hu et al.
Jiewei Lai et al.
Fourteen 20(S)-substituted FL118 hybrids coupled with non-steroidal anti-inflammatory drugs (NSAIDs) or amino acids (AA) were synthesized and characterized. Most of them exhibited excellent antitumor activity against the four types of human...
Synthesis, molecular docking and antibacterial activity of an oxadiazole-based lipoteichoic acid inhibitor and its metabolites [0.03%]
基于噁二唑的脂壁酸抑制剂及其代谢物的合成，分子对接及抗菌活性研究
Michaela Serpi,Fabrizio Pertusati,Chiara Morozzi et al.
Michaela Serpi et al.
Amongst drug resistant Gram-positive bacteria, Staphylococcus aureus is a pathogen of great concern as it is the leading cause of life-threatening nosocomial and community acquired infections which are often associated with implanted medica...
Pharmacophore Oriented MP2 Characterization of Charge Distribution for Anti-SARS-CoV-2 Inhibitor Nirmatrelvir [0.03%]
面向药效团的MP2方法研究抗SARS-CoV-2抑制剂奈玛特韦的电荷分布特性
Yuemin Liu,Rulong Ma,Huajun Fan et al.
Yuemin Liu et al.
Quantum mechanical second order Møller-Plesset (MP2) perturbation theory and density functional theory (DFT) Becke, 3-parameter, Lee-Yang-Parr (B3LYP) and Minnesota 2006 local functional (M06L) calculations were performed to optimize struc...
Novel Indole-Pyrazole Hybrids as Potential Tubulin-Targeting Agents; Synthesis, antiproliferative evaluation, and molecular modeling studies [0.03%]
新型吲哚-吡唑杂环化合物作为潜在的微管靶向剂的研究：合成，抗增殖活性评价及分子对接研究
Mohammed Hawash,Sezen Guntekin Ergun,Deniz Cansen Kahraman et al.
Mohammed Hawash et al.
Structurally diverse indole-3-pyrazole-5-carboxamide analogues (10-29) were designed, synthesized, and evaluated for their antiproliferative activity against three cancer cell lines (Huh7, MCF-7, and HCT116) using the sulforhodamine B assay...
Targeting the vital non-structural proteins (NSP12, NSP7, NSP8 and NSP3) from SARS-CoV-2 and inhibition of RNA polymerase by natural bioactive compound naringenin as a promising drug candidate against COVID-19 [0.03%]
针对SARS-CoV-2重要非结构蛋白（NSP12、NSP7、NSP8和NSP3）及天然生物活性化合物柚皮素抑制RNA聚合酶作为抗COVID-19药物候选者的前景研究
Elahe Aleebrahim-Dehkordi,Hamed Ghoshouni,Pooneh Koochaki et al.
Elahe Aleebrahim-Dehkordi et al.
The prevalence of SARS-CoV-2-induced respiratory infections is now a major challenge worldwide. There is currently no specific antiviral drug to prevent or treat this disease. Infection with COVID-19 seriously needs to find effective therap...
Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics [0.03%]
基于分子对接和分子动力学的碳纳米管与新型冠状病毒外部结构相互作用研究
Júlio Cesar Mendes Lobato,Tiago da Silva Arouche,Jordan Del Nero et al.
Júlio Cesar Mendes Lobato et al.
Molecular modeling techniques are used to describe the process of interaction between nanotubes and the main structures of the Covid-19 virus: the envelope protein, the main protease, and the Spike glycoprotein. Molecular docking studies sh...
Design, synthesis, and computational studies of novel imidazo[1,2- a]pyrimidine derivatives as potential dual inhibitors of hACE2 and spike protein for blocking SARS-CoV-2 cell entry [0.03%]
设计、合成和计算新型咪唑并[1,2-a]嘧啶衍生物作为潜在的hACE2和刺蛋白双抑制剂以阻断SARS-CoV-2细胞进入的研究
Mohamed Azzouzi,Zainab El Ouafi,Omar Azougagh et al.
Mohamed Azzouzi et al.
In the present work, a new series of imidazo[1,2-a]pyrimidine Schiff base derivatives have been obtained using an easy and conventional synthetic route. The synthesized compounds were spectroscopically characterized using 1H, 13C NMR, LC-MS...