A Comprehensive Review about the Molecular Structure of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2): Insights into Natural Products against COVID-19
Essa M. Saied,Yousra A. El-Maradny,Alaa A. Osman,Amira M. G. Darwish,Hebatallah H. Abo Nahas,Gniewko Niedbała,Magdalena Piekutowska,Mohamed A. Abdel-Rahman,Bassem A. Balbool,Ahmed M. Abdel-Azeem +9 more
TLDR
In 2019, the world suffered from the emergence of COVID-19 infection, one of the most difficult pandemics in recent history, and millions of confirmed deaths from this pandemic have been reported worldwide as mentioned in this paper.Abstract:
In 2019, the world suffered from the emergence of COVID-19 infection, one of the most difficult pandemics in recent history. Millions of confirmed deaths from this pandemic have been reported worldwide. This disaster was caused by SARS-CoV-2, which is the last discovered member of the family of Coronaviridae. Various studies have shown that natural compounds have effective antiviral properties against coronaviruses by inhibiting multiple viral targets, including spike proteins and viral enzymes. This review presents the classification and a detailed explanation of the SARS-CoV-2 molecular characteristics and structure–function relationships. We present all currently available crystal structures of different SARS-CoV-2 proteins and emphasized on the crystal structure of different virus proteins and the binding modes of their ligands. This review also discusses the various therapeutic approaches for COVID-19 treatment and available vaccinations. In addition, we highlight and compare the existing data about natural compounds extracted from algae, fungi, plants, and scorpion venom that were used as antiviral agents against SARS-CoV-2 infection. Moreover, we discuss the repurposing of select approved therapeutic agents that have been used in the treatment of other viruses.read more
Citations
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Acetylsalicylic Acid Suppresses Alcoholism-Induced Cognitive Impairment Associated with Atorvastatin Intake by Targeting Cerebral miRNA155 and NLRP3: In Vivo, and In Silico Study
Doaa I. Mohamed,Dalia Alaa El-Din Aly El-Waseef,Enas Samir Nabih,Omnyah A. El-Kharashi,Hanaa F. Abd El-Kareem,Hebatallah H. Abo Nahas,Basel A. Abdel-Wahab,Yosra A. Helmy,Samar Z. Alshawwa,Essa M. Saied +9 more
TL;DR: Administration of ASA reversed the deleterious effect of the alcohol and ATOR intake and improved the cognitive function as indicated by biochemical and histological analysis and an extensive molecular docking study indicated that ASA has high binding scores toward the active sites of theNLRP3 NACHT domain with the ability to bind to the NLRP3 pockets by a set of hydrophilic and hydrophobic interactions.
Journal ArticleDOI
Novel Exopolysaccharide from Marine Bacillus subtilis with Broad Potential Biological Activities: Insights into Antioxidant, Anti-Inflammatory, Cytotoxicity, and Anti-Alzheimer Activity
Basel A. Abdel-Wahab,Hanaa F. Abd El-Kareem,Ahmad A. Alzamami,Cinderella A. Fahmy,Basem H. Elesawy,Maged Mostafa Mahmoud,A. A. El Ghareeb,Ahmad El Askary,Hebatallah H. Abo Nahas,Nashwah G. M. Attallah,Najla Altwaijry,Essa M. Saied +11 more
TL;DR: Taken together, this study reveals that Bacillus subtilis strain AG4 could be considered as a potential natural source of novel EPS with potent biological activities that would be useful for the healthcare system.
Journal ArticleDOI
Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies
Ayman Abo Elmaaty,Wagdy M. Eldehna,Muhammad Khattab,Omnia Kutkat,Radwan Alnajjar,Ahmed Nageh El-Taweel,Sara T. Al-Rashood,Mohammed A.S. Abourehab,Faizah A Binjubair,Mohamed A. Saleh,Amany Belal,Ahmed A. Al-Karmalawy +11 more
TL;DR: In this article, 34 anticoagulant drugs were screened in silico against the main protease (Mpro) of SARS-CoV-2 using molecular docking tools and Idraparinux, fondaparinux, eptifibatide, heparin, and ticagrelor demonstrated the highest binding affinities towards Sars-Cov-2 Mpro.
Journal ArticleDOI
Insights into Asparaginase from Endophytic Fungus Lasiodiplodia theobromae: Purification, Characterization and Antileukemic Activity
Hani Moubasher,Bassem A. Balbool,Yosra A. Helmy,Amnah M. A. Alsuhaibani,Ahmed Atta,Donia H Sheir,Ahmed M. Abdel-Azeem +6 more
TL;DR: The use of endophytic fungi as a sustainable source for metabolites such as asparaginase provides an opportunity to develop a facile, eco-friendly, cost-effective, and rapid synthesis of antileukemic drugs, which have the potential to be used as alternative and reliable sources for potent anticancer agents.
Journal ArticleDOI
Hepatoprotective Role of Carvedilol against Ischemic Hepatitis Associated with Acute Heart Failure via Targeting miRNA-17 and Mitochondrial Dynamics-Related Proteins: An In Vivo and In Silico Study
Doaa I. Mohamed,Samar F. Ezzat,Wael M. Elayat,Omnyah A. El-Kharashi,H. F. A. El-Kareem,Hebatallah H. Abo Nahas,Basel A. Abdel-Wahab,Samar Z. Alshawwa,Asmaa Saleh,Yosra A. Helmy,Eman Y. Khairy,Essa M. Saied +11 more
TL;DR: Results indicated that the hepatoprotective effect of carvedilol in ameliorating hepatic ischemic damage could be attributed to its ability to target the mitochondrial dynamics-related proteins (Mtf2, DNM1L and PGC-1α), but also their epigenetic regulator miRNA-17.
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TL;DR: There is evidence that human-to-human transmission has occurred among close contacts since the middle of December 2019 and considerable efforts to reduce transmission will be required to control outbreaks if similar dynamics apply elsewhere.
Journal ArticleDOI
Fast, scalable generation of high‐quality protein multiple sequence alignments using Clustal Omega
Fabian Sievers,Andreas Wilm,David Dineen,Toby J. Gibson,Kevin Karplus,Weizhong Li,Rodrigo Lopez,Hamish McWilliam,Michael Remmert,Johannes Söding,Julie D. Thompson,Desmond G. Higgins +11 more
TL;DR: A new program called Clustal Omega is described, which can align virtually any number of protein sequences quickly and that delivers accurate alignments, and which outperforms other packages in terms of execution time and quality.