A Computational Approach to Elucidate the Interactions of Chemicals From Artemisia annua Targeted Toward SARS-CoV-2 Main Protease Inhibition for COVID-19 Treatment
出版年份 2022 全文链接
标题
A Computational Approach to Elucidate the Interactions of Chemicals From Artemisia annua Targeted Toward SARS-CoV-2 Main Protease Inhibition for COVID-19 Treatment
作者
关键词
-
出版物
Frontiers in Medicine
Volume 9, Issue -, Pages -
出版商
Frontiers Media SA
发表日期
2022-06-15
DOI
10.3389/fmed.2022.907583
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Hundreds of COVID trials could provide a deluge of new drugs
- (2022) Heidi Ledford NATURE
- The important herbal pair for the treatment of COVID-19 and its possible mechanisms
- (2021) Shujie Xia et al. Chinese Medicine
- Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer’s Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking Approaches
- (2021) Oluwafemi Adeleke Ojo et al. MOLECULES
- Computational study of the therapeutic potentials of a new series of imidazole derivatives against SARS-CoV-2
- (2021) Titilayo O. Johnson et al. JOURNAL OF PHARMACOLOGICAL SCIENCES
- Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics
- (2021) Mario Allegra et al. Frontiers in Pharmacology
- An overview of the anti-SARS-CoV-2 properties of Artemisia annua, its antiviral action, protein-associated mechanisms, and repurposing for COVID-19 treatment
- (2021) Andréa D. Fuzimoto Journal of Integrative Medicine-JIM
- Clinical Characteristics of 138 Hospitalized Patients With 2019 Novel Coronavirus–Infected Pneumonia in Wuhan, China
- (2020) Dawei Wang et al. JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION
- Development of epitope‐based peptide vaccine against novel coronavirus 2019 (SARS‐COV‐2): Immunoinformatics approach
- (2020) Manojit Bhattacharya et al. JOURNAL OF MEDICAL VIROLOGY
- The reproductive number of COVID-19 is higher compared to SARS coronavirus
- (2020) Ying Liu et al. JOURNAL OF TRAVEL MEDICINE
- An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study
- (2020) Sourav Das et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel
- (2020) Manoj Kumar Gupta et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target
- (2020) Umesh et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
- (2020) Linlin Zhang et al. SCIENCE
- Aromatic clusters in protein–protein and protein–drug complexes
- (2020) Esteban Lanzarotti et al. Journal of Cheminformatics
- COVID-19 treatment: close to a cure? A rapid review of pharmacotherapies for the novel coronavirus (SARS-CoV-2)
- (2020) Yang Song et al. INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
- Constituents of buriti oil (Mauritia flexuosa L.) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics
- (2020) Allan N. Costa et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation study
- (2020) Rajesh Ghosh et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- SARS-CoV-2 Main Protease: A Molecular Dynamics Study
- (2020) Dimas Suárez et al. Journal of Chemical Information and Modeling
- COVID-19 infection: Origin, transmission, and characteristics of human coronaviruses
- (2020) Muhammad Adnan Shereen et al. Journal of Advanced Research
- Kaempferol: an encouraging flavonoid for COVID-19
- (2020) Roohollah Ahmadian et al. Boletin Latinoamericano y del Caribe de Plantas Medicinales y Aromaticas
- Therapeutic potential of Chromolaena odorata phyto-constituents against human pancreatic α-amylase
- (2020) Babatomiwa Kikiowo et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Deciphering the interaction of puerarin with cancer macromolecules: An in silico investigation
- (2020) Oluwafemi Adeleke Ojo et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial
- (2020) Simon A. Bray et al. Journal of Cheminformatics
- Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-2
- (2020) Olusola Olalekan Elekofehinti et al. MOLECULAR DIVERSITY
- Kaempferol: A Key Emphasis to Its Anticancer Potential
- (2019) Muhammad Imran et al. MOLECULES
- Structural Studies of Predicted Ligand Binding Sites and Molecular Docking Analysis of Slc2a4 as a Therapeutic Target for the Treatment of Cancer
- (2018) Raphael Aruleba et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- The Genome of Artemisia annua Provides Insight into the Evolution of Asteraceae Family and Artemisinin Biosynthesis
- (2018) Qian Shen et al. Molecular Plant
- ProTox-II: a webserver for the prediction of toxicity of chemicals
- (2018) Priyanka Banerjee et al. NUCLEIC ACIDS RESEARCH
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- Molecular docking for drug discovery and development: a widely used approach but far from perfect
- (2016) Guimin Wang et al. Future Medicinal Chemistry
- Anti-inflammatory, Antioxidant and Antimicrobial Effects of Artemisinin Extracts fromArtemisia annuaL.
- (2015) Wan-Su Kim et al. KOREAN JOURNAL OF PHYSIOLOGY & PHARMACOLOGY
- Kaempferol Derivatives as Antiviral Drugs against the 3a Channel Protein of Coronavirus
- (2014) Silvia Schwarz et al. PLANTA MEDICA
- The physiological response of Artemisia annua L. to salt stress and salicylic acid treatment
- (2014) Lin Li et al. PHYSIOLOGY AND MOLECULAR BIOLOGY OF PLANTS
- An in silico evaluation of the ADMET profile of the StreptomeDB database
- (2013) Fidele Ntie-Kang SpringerPlus
- Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
- (2012) Christopher A. Lipinski et al. ADVANCED DRUG DELIVERY REVIEWS
- Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
- (2012) Xuan-Yu Meng et al. Current Computer-Aided Drug Design
- PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions
- (2011) Mats H. M. Olsson et al. Journal of Chemical Theory and Computation
- Mutation of Glu-166 Blocks the Substrate-Induced Dimerization of SARS Coronavirus Main Protease
- (2010) Shu-Chun Cheng et al. BIOPHYSICAL JOURNAL
- Mapping the potential distribution of high artemisinin-yielding Artemisia annua L. (Qinghao) in China with a geographic information system
- (2010) Linfang Huang et al. Chinese Medicine
- The Biochemistry of Drug Metabolism - An Introduction
- (2009) Bernard Testa et al. CHEMISTRY & BIODIVERSITY
- Nutritional characterisation and antioxidant capacity of different tissues of Artemisia annua L.
- (2009) Ebiamadon Andi Brisibe et al. FOOD CHEMISTRY
- The Antiviral Activities of Artemisinin and Artesunate
- (2008) Thomas Efferth et al. CLINICAL INFECTIOUS DISEASES
- Flavonoids: Prospective Drug Candidates
- (2008) Luisa Cazarolli et al. MINI-REVIEWS IN MEDICINAL CHEMISTRY
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