Identification of Alkaloids from Terminalia chebula as Potent SARS- CoV-2 Main Protease Inhibitors: An In Silico Perspective [0.03%]
基于分子对接技术的秋梨醇总皂苷抗新型冠状病毒活性成分筛选与评价
Rajesh Ghosh,Vishnu Nayak Badavath,Snehasis Chowdhuri et al.
Rajesh Ghosh et al.
Natural compounds in medicinal plants are best remedies for different diseases and are important to develop new drugs. This work was dedicated to understand the role of different natural compounds of Terminalia Chebula, a well-known herbal ...
Anti-Inflammatory, Antiallergic and COVID-19 Main Protease (Mpro) Inhibitory Activities of Butenolides from a Marine-Derived Fungus Aspergillus costaricaensis [0.03%]
来源于海洋来源真菌Aspergillus costaricaensis的丁烯内酯类化合物的抗炎、抗过敏及抑制新型冠状病毒主要蛋白酶(Mpro)活性作用研究
Ibrahim S Uras,Michal Korinek,Amgad Albohy et al.
Ibrahim S Uras et al.
Amid the current COVID-19 pandemic, the emergence of several variants in a relatively high mutation rate (twice per month) strengthened the importance of finding out a chemical entity that can be potential for developing an effective medici...
An Update on Pharmacological Relevance and Chemical Synthesis of Natural Products and Derivatives with Anti SARS-CoV-2 Activity [0.03%]
具有抗SARS-CoV-2活性的天然产物和衍生物的药理学相关性和化学合成最新研究进展
Shagufta,Irshad Ahmad
Shagufta
Natural products recognized traditionally as a vital source of active constituents in pharmacotherapy. The COVID-19 infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is highly transmissible, pathogenic, and co...
Comparative MD Study of Inhibitory Activity of Opaganib and Adamantane-Isothiourea Derivatives toward COVID-19 Main Protease Mpro [0.03%]
基于COVID-19主要蛋白酶Mpro的抑制活性的Opaganib和金刚烷异硫脲衍生物的分子模拟研究
Jelena Đorović Jovanović,Marko Antonijević,Ali A El-Emam et al.
Jelena Đorović Jovanović et al.
In this study, the inhibitory potency of four adamantly- isothiourea derivatives (compounds 1 [4-bromobenzyl (Z)-N'-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate], 2 [3,5-bis(trifluoromethyl)benzyl (Z)-N'-(adamantan-1-yl)-4-phenylp...
Molecular Level Dissection of Critical Spike Mutations in SARS-CoV-2 Variants of Concern (VOCs): A Simplified Review [0.03%]
关注变体（VOCs）中SARS-CoV-2关键刺突突变的分子水平解构：简明综述
Nilesh Joshi,Adish Tyagi,Sandeep Nigam
Nilesh Joshi
SARS-CoV-2 virus during its spread in the last one and half year has picked up critical changes in its genetic code i.e. mutations, which have leads to deleterious epidemiological characteristics. Due to critical role of spike protein in ce...
Potential Use of DMSA-Containing Iron Oxide Nanoparticles as Magnetic Vehicles against the COVID-19 Disease [0.03%]
含DMSA的氧化铁纳米颗粒作为对抗COVID-19疾病的磁性载体的潜在用途
Elisama S Martins,Ariane Espindola,Tatiane N Britos et al.
Elisama S Martins et al.
Iron oxide magnetic nanoparticles have been employed as potential vehicles for a large number of biomedical applications, such as drug delivery. This article describes the synthesis, characterization and in vitro cytotoxic in COVID-19 cells...
Computational Studies of Selected Transition Metal Complexes as Potential Drug Candidates against the SARS-CoV-2 Virus [0.03%]
针对SARS-CoV-2病毒的潜在药物候选物的选定过渡金属配合物的计算研究
Maynak Pal,Dulal Musib,Aniket J Zade et al.
Maynak Pal et al.
The earth has witnessed the greatest global health crisis due to the outbreak of the SARS-CoV-2 virus in late 2019, resulting in the pandemic COVID-19 with 3.38 million mortality and 163 million infections across 222 nations. Therefore, the...
Identification of SARS-CoV-2 Main Protease Inhibitors Using Structure Based Virtual Screening and Molecular Dynamics Simulation of DrugBank Database [0.03%]
利用基于结构的虚拟筛选和分子动力学模拟DrugBank数据库识别SARS-CoV-2主蛋白酶抑制剂
Pradip Debnath,Samhita Bhaumik,Debanjan Sen et al.
Pradip Debnath et al.
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is highly pathogenic to humans and has created an unprecedented global health care threat. Globally, intense efforts are going on to discover a vaccine or new drug molecules to co...
Novel 1,2,3-Triazole Derivatives as Potential Inhibitors against Covid-19 Main Protease: Synthesis, Characterization, Molecular Docking and DFT Studies [0.03%]
用于抑制新冠主蛋白酶的新型1,2,3-三唑衍生物：合成，表征，分子对接及DFT研究
Mohamed Reda Aouad,Daoud J O Khan,Musa A Said et al.
Mohamed Reda Aouad et al.
The highly contagious nature of Covid-19 attracted us to this challenging area of research, mainly because the disease is spreading very fast and until now, no effective method of a safe treatment or a vaccine is developed. A library of nov...
Meiqi Luo,Christopher N Eaton,Kenneth R Hess et al.
Meiqi Luo et al.
The active sites of subtilisin and trypsin have been studied by paired IR spectroscopic and X-ray crystallographic studies. The active site serines of the proteases were reacted with 4-cyanobenzenesulfonyl fluoride (CBSF), an inhibitor that...