Computational molecular docking and virtual screening revealed promising SARS-CoV-2 drugs
The pandemic of novel coronavirus disease 2019 (COVID-19) has rampaged the world, with
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
more than 58.4 million confirmed cases and over 1.38 million deaths across the world by 23 …
Computer especially AI-assisted drug virtual screening and design in traditional Chinese medicine
Y Lin, Y Zhang, D Wang, B Yang, YQ Shen - Phytomedicine, 2022 - Elsevier
Abstract Background Traditional Chinese medicine (TCM), as a significant part of the global
pharmaceutical science, the abundant molecular compounds it contains is a valuable …
pharmaceutical science, the abundant molecular compounds it contains is a valuable …
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against …
The recent pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …
[HTML][HTML] Microsecond MD simulation and multiple-conformation virtual screening to identify potential anti-COVID-19 inhibitors against SARS-CoV-2 main protease
The recent pandemic outbreak of COVID-19, caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), raised global health and economic concerns …
coronavirus 2 (SARS-CoV-2), raised global health and economic concerns …
[HTML][HTML] Strategies for heterologous expression, synthesis, and purification of animal venom toxins
E Rivera-de-Torre, C Rimbault, TP Jenkins… - … in bioengineering and …, 2022 - frontiersin.org
Animal venoms are complex mixtures containing peptides and proteins known as toxins,
which are responsible for the deleterious effect of envenomations. Across the animal …
which are responsible for the deleterious effect of envenomations. Across the animal …
Exploring the role of microbial proteins in controlling environmental pollutants based on molecular simulation
J Wu, J Lv, L Zhao, R Zhao, T Gao, Q Xu, D Liu… - Science of the Total …, 2023 - Elsevier
Molecular simulation has been widely used to study microbial proteins' structural
composition and dynamic properties, such as volatility, flexibility, and stability at the …
composition and dynamic properties, such as volatility, flexibility, and stability at the …
[HTML][HTML] Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review
E Zhou, Q Shen, Y Hou - Frontiers in Pharmacology, 2024 - frontiersin.org
Traditional Chinese medicine (TCM) is the practical experience and summary of the
Chinese nation for thousands of years. It shows great potential in treating various chronic …
Chinese nation for thousands of years. It shows great potential in treating various chronic …
Synergistic Effect of Chlorogenic Acid and Caffeic Acid with Fosfomycin on Growth Inhibition of a Resistant Listeria monocytogenes Strain
Listeria monocytogenes, a human foodborne pathogen that causes listeriosis with high-rate
mortality, has been reported to be resistant to commonly used antibiotics. New antibiotics or …
mortality, has been reported to be resistant to commonly used antibiotics. New antibiotics or …
[HTML][HTML] Structure insights of SARS-CoV-2 open state envelope protein and inhibiting through active phytochemical of ayurvedic medicinal plants from Withania …
RA Alharbi - Saudi Journal of Biological Sciences, 2021 - Elsevier
Coronaviruses have been causing pandemic situations across the globe for the past two
decades and the focus is on identifying suitable novel targets for antivirals and vaccine …
decades and the focus is on identifying suitable novel targets for antivirals and vaccine …
Bacterial protein azurin and derived peptides as potential anti-SARS-CoV-2 agents: insights from molecular docking and molecular dynamics simulations
The current pandemic SARS-CoV-2 has wreaked havoc in the world, and neither drugs nor
vaccine is available for the treatment of this disease. Thus, there is an immediate need for …
vaccine is available for the treatment of this disease. Thus, there is an immediate need for …