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Open AccessJournal ArticleDOI

Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants - Withania somnifera (Ashwagandha), Tinospora cordifolia (Giloy) and Ocimum sanctum (Tulsi) - a molecular docking study.

Priya Shree, +6 more
- 27 Aug 2020 - 
- pp 1-14
TLDR
It could be suggested that active phytochemicals from medicinal plants could potentially inhibit Mpro of SARS-CoV-2 and further equip the management strategy against COVID-19-a global contagion.
Abstract: 
COVID-19 (Coronavirus disease 2019) is a transmissible disease initiated and propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus-2) since 31st December 2...

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Citations
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Journal ArticleDOI

Structural Basis of Potential Inhibitors Targeting SARS-CoV-2 Main Protease

Hylemariam Mihiretie Mengist, +3 more
- 12 Mar 2021 - 
TL;DR: In this article, the structural basis of potential inhibitors targeting SARS-CoV-2 Mpro, identifies gaps, and provides future directions, highlighting compounds with potential Mpro based antiviral activity.
Journal ArticleDOI

Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

Victor T. Sabe, +6 more
- 15 Nov 2021 - 
TL;DR: In this paper, the authors evaluated more than 600 publications through systematic searching and refining, using the terms, virtual screening; software methods; computational studies and publication year, in order to obtain data concerning particular aspects of CADD.
Journal ArticleDOI

Antiviral activity of sulfated polysaccharides from marine algae and its application in combating COVID-19: Mini review

Nidhi Hans, +2 more
- 01 Feb 2021 - 
TL;DR: In this paper, a review of sulfated polysaccharides and their structural properties is presented, including carrageenan, agar, ulvan, fucoidan, and alginates.
Journal ArticleDOI

Traditional Herbal Medicines, Bioactive Metabolites, and Plant Products Against COVID-19: Update on Clinical Trials and Mechanism of Actions

Safaet Alam, +6 more
- 28 May 2021 - 
TL;DR: A review of plant-based anti-COVID-19 clinical trials found in several scientific and authenticated databases is presented in this article, where the aim is to allow researchers and innovators to identify promising and prospective anti-Covari-19 agents in clinical trials to establish them as novel therapies to address this unwanted pandemic.
Journal ArticleDOI

Spices and herbs: Potential antiviral preventives and immunity boosters during COVID-19.

Namita Ashish Singh, +3 more
- 29 Jan 2021 - 
TL;DR: A questionnaire-based online survey has been conducted on home remedies during COVID-19 among a wide range of peoples (n-531) of different age groups (13-68 years) from various countries as mentioned in this paper.
References
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Journal ArticleDOI

A Novel Coronavirus from Patients with Pneumonia in China, 2019.

Na Zhu, +18 more
- 24 Jan 2020 - 
TL;DR: Human airway epithelial cells were used to isolate a novel coronavirus, named 2019-nCoV, which formed a clade within the subgenus sarbecovirus, Orthocoronavirinae subfamily, which is the seventh member of the family of coronaviruses that infect humans.
Journal ArticleDOI

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, +1 more
- 04 Jun 2009 - 
TL;DR: AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in the lab, while also significantly improving the accuracy of the binding mode predictions, judging by tests on the training set used in AutoDock 4 development.
Journal ArticleDOI

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation.

Daniel Wrapp, +7 more
- 13 Mar 2020 - 
TL;DR: The authors show that this protein binds at least 10 times more tightly than the corresponding spike protein of severe acute respiratory syndrome (SARS)–CoV to their common host cell receptor, and test several published SARS-CoV RBD-specific monoclonal antibodies found that they do not have appreciable binding to 2019-nCoV S, suggesting that antibody cross-reactivity may be limited between the two RBDs.
Journal ArticleDOI

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein.

Alexandra C. Walls, +7 more
- 16 Apr 2020 - 
TL;DR: It is demonstrating that cross-neutralizing antibodies targeting conserved S epitopes can be elicited upon vaccination, and it is shown that SARS-CoV-2 S uses ACE2 to enter cells and that the receptor-binding domains of Sars- coV- 2 S and SARS S bind with similar affinities to human ACE2, correlating with the efficient spread of SATS among humans.
Journal ArticleDOI

Lead- and drug-like compounds: the rule-of-five revolution.

Christopher A. Lipinski
- 01 Dec 2004 - 
TL;DR: This topic is explored in terms ofDrug-like physicochemical features, drug-like structural features, a comparison of drug- like and non-drug-like in drug discovery and a discussion of how drug-Like features relate to clinical success.
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