42,834 results match your criteria Antiviral Chemistry & Chemotherapy[Journal]


Opportunities for Biomaterials to Address the Challenges of COVID-19.

J Biomed Mater Res A 2020 Jul 14. Epub 2020 Jul 14.

Department of Chemistry and Chemical Biology, Rutgers - The State University of New Jersey, Piscataway, NJ, USA.

The Coronavirus Disease 2019 (COVID-19) pandemic has revealed major shortcomings in our ability to mitigate transmission of infectious viral disease and provide treatment to patients, resulting in a public health crisis. Within months of the first reported case in China the virus has spread worldwide at an unprecedented rate. COVID-19 illustrates that the biomaterials community was engaged in significant research efforts against bacteria and fungi with relatively little effort devoted to viruses. Read More

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http://dx.doi.org/10.1002/jbm.a.37059DOI Listing

Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.

J Biomol Struct Dyn 2020 Jul 14:1-13. Epub 2020 Jul 14.

United Institute of Informatics Problems, National Academy of Sciences of Belarus, Minsk, Republic of Belarus.

A computational approach to in drug discovery was carried out to identify small drug-like compounds able to show structural and functional mimicry of the high affinity ligand X77, potent non-covalent inhibitor of SARS-COV-2 main protease (M). In doing so, the X77-mimetic candidates were predicted based on the crystal X77-M structure by a public web-oriented virtual screening platform Pharmit. Models of these candidates bound to SARS-COV-2 M were generated by molecular docking, quantum chemical calculations and molecular dynamics simulations. Read More

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http://dx.doi.org/10.1080/07391102.2020.1792989DOI Listing

Therapeutic dilemma in the repression of severe acute respiratory syndrome coronavirus-2 proteome.

Drug Dev Res 2020 Jul 13. Epub 2020 Jul 13.

Institute of Chemistry, University of the Punjab, Lahore, Pakistan.

Currently, the pandemic coronavirus disease 2019 (COVID-19) has unprecedentedly captivated its human hosts by causing respiratory illnesses because of evolution of the genetic makeup of novel coronavirus (CoV) known as severe acute respiratory syndrome coronavirus-2 (SARS CoV-2). As much as the researchers are inundated for the quest of effective treatments from available drugs, the discovery and trials of new experimental drugs are also at a threshold for clinical trials. There has been much concern regarding the new and targeted drugs considering the comprehensive ambiguity regarding the mechanism and pathway of the drug action with respect to the new and unpredictable structural and nonstructural proteins (NSPs) of SARS CoV-2. Read More

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http://dx.doi.org/10.1002/ddr.21710DOI Listing

The Role of Alveolar Macrophages in the Improved Protection against Respiratory Syncytial Virus and Pneumococcal Superinfection Induced by the Peptidoglycan of CRL1505.

Cells 2020 Jul 9;9(7). Epub 2020 Jul 9.

Laboratory of Immunobiotechnology, Reference Centre for Lactobacilli, (CERELA-CONICET), Tucuman 4000, Argentina.

The nasal priming with nonviable CRL1505 (NV1505) or its purified peptidoglycan (PG1505) differentially modulates the respiratory innate immune response in infant mice, improving their resistance to primary respiratory syncytial virus (RSV) infection and secondary pneumococcal pneumonia. In association with the protection against RSV-pneumococcal superinfection, it was found that NV1505 or PG1505 significantly enhance the numbers of CD11cSiglecF alveolar macrophages (AMs) producing interferon (IFN)-β. In this work, we aimed to further advance in the characterization of the beneficial effects of NV1505 and PG1505 in the context of a respiratory superinfection by evaluating whether their immunomodulatory properties are dependent on AM functions. Read More

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http://dx.doi.org/10.3390/cells9071653DOI Listing

Mitigating effects of Bean yellow mosaic virus infection in faba bean using new carboxymethyl chitosan-titania nanobiocomposites.

Int J Biol Macromol 2020 Jul 10. Epub 2020 Jul 10.

Botany and Microbiology Department, Faculty of Science, Al-Azhar University, 11884 Nasr City, Cairo, Egypt.

Bean yellow mosaic virus (BYMV) is the main cause of the mosaic and malformation of many plants, worldwide. Thus, the triggering of plant systemic resistance against BYMV is of great interest. In this endeavor, we aimed to explore the capacity of new carboxymethyl chitosan-titania nanobiocomposites (NBCs, NBC1,2) to trigger faba bean plants resistance against BYMV. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2020.07.066DOI Listing

New antivirals and antibacterials based on silver nanoparticles.

ChemMedChem 2020 Jul 13. Epub 2020 Jul 13.

CNR, ISMN, ITALY.

Microencapsulated Ag nanoparticles, wee argument in this study, may shortly emerge as new generation antibacterials and antivirals of broad scope, low toxicity and affordable cost. The rediscovery of the medical uses of silver provides another noticeable example, this time at the interface of chemistry and medicine with implications concerning also COVID-19, of the real (and non-linear) progress of scientific research. Read More

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http://dx.doi.org/10.1002/cmdc.202000390DOI Listing

Characterization of heparin and severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) spike glycoprotein binding interactions.

Antiviral Res 2020 Jul 9:104873. Epub 2020 Jul 9.

Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, New York, United States of America; Department of Chemical and Biological Engineering, Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, New York, United States of America; Department of Biological Science, Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, New York, United States of America; Biomedical Engineering, Center for Biotechnology and Interdisciplinary Studies, Rensselaer Polytechnic Institute, Troy, New York, United States of America. Electronic address:

Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) has resulted in a pandemic and continues to spread around the globe at an unprecedented rate. To date, no effective therapeutic is available to fight its associated disease, COVID-19. Our discovery of a novel insertion of glycosaminoglycan (GAG)-binding motif at S1/S2 proteolytic cleavage site (681-686 (PRRARS)) and two other GAG-binding-like motifs within SARS-CoV-2 spike glycoprotein (SGP) led us to hypothesize that host cell surface GAGs may interact SARS-CoV-2 SGPs to facilitate host cell entry. Read More

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http://dx.doi.org/10.1016/j.antiviral.2020.104873DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7347485PMC

Synthesis of antiviral perfluoroalkyl derivatives of teicoplanin and vancomycin.

ChemMedChem 2020 Jul 11. Epub 2020 Jul 11.

Debreceni Egyetem, Pharmaceutical Chemistry, HUNGARY.

The limited scope of antiviral drugs and increasing problem of antiviral drug resistance represent a global health threat. Glycopeptide antibiotics and their lipophilic derivatives have emerged as relevant inhibitors of diverse viruses. Here, we describe a new strategy for the synthesis of dual hydrophobic and lipophobic derivatives of glycopeptides, to produce selective antiviral agents without membrane-disrupting activity. Read More

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http://dx.doi.org/10.1002/cmdc.202000260DOI Listing

The natural compound Cirsitakaoside enhances antiviral innate responses against vesicular stomatitis virus in vitro and in vivo.

Int Immunopharmacol 2020 Jul 8;86:106783. Epub 2020 Jul 8.

Guangdong Provincial Key Laboratory of Regional Immunity and Diseases, Department of Immunology, Shenzhen University School of Medicine, Shenzhen 518060, China. Electronic address:

Cirsitakaoside, isolated and purified from the stems and leaves of Premna szemaoensis and Macaranga denticulata, is a natural compound with potential anti-inflammatory effects. However, the role of Cirsitakaoside in antiviral activity and the underlying mechanism remains largely unknown. In this study, we aimed to identify whether Cirsitakaoside has antiviral activity and investigated the underlying mechanisms. Read More

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http://dx.doi.org/10.1016/j.intimp.2020.106783DOI Listing

Thalassosterol, a New Cytotoxic Aromatase Inhibitor Ergosterol Derivative from the Red Sea Seagrass .

Mar Drugs 2020 Jul 8;18(7). Epub 2020 Jul 8.

Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia 61519, Egypt.

(Forssk.) Den Hartog is a seagrass belonging to the plant family Cymodoceaceae with ubiquitous phytoconstituents and important pharmacological potential, including antioxidant, antiviral, and cytotoxic activities. In this work, a new ergosterol derivative named thalassosterol () was isolated from the methanolic extract of growing in the Red Sea, along with two known first-reported sterols, namely ergosterol () and stigmasterol (), using different chromatographic techniques. Read More

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http://dx.doi.org/10.3390/md18070354DOI Listing

Development of A4 antibody for detection of neuraminidase I223R/H275Y-associated antiviral multidrug-resistant influenza virus.

Nat Commun 2020 Jul 9;11(1):3418. Epub 2020 Jul 9.

Bionanotechnology Research Center, Korea Research Institute of Bioscience & Biotechnology (KRIBB), 125 Gwahak-ro, Yuseong-gu, Daejeon, 34141, Republic of Korea.

The emergence and spread of antiviral drug-resistant viruses have been a worldwide challenge and a great concern for patient care. We report A4 antibody specifically recognizing and binding to the mutant I223R/H275Y neuraminidase and prove the applicability of A4 antibody for direct detection of antiviral multidrug-resistant viruses in various sensing platforms, including naked-eye detection, surface-enhanced Raman scattering-based immunoassay, and lateral flow system. The development of the A4 antibody enables fast, simple, and reliable point-of-care assays of antiviral multidrug-resistant influenza viruses. Read More

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http://dx.doi.org/10.1038/s41467-020-17246-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7347576PMC

interaction of nucleoside reverse transcriptase inhibitor, didanosine with calf-thymus DNA: Insights from spectroscopic studies.

Nucleosides Nucleotides Nucleic Acids 2020 Jul 9:1-12. Epub 2020 Jul 9.

Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran.

Many antivirals interact with DNA and alter their expression profile. Thus, it is necessary to understand the binding mode. Didanosine, a nucleoside reverse transcriptase inhibitor, is used to treat HIV infection in patients with or without acquired immunodeficiency syndrome. Read More

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http://dx.doi.org/10.1080/15257770.2020.1780435DOI Listing

Bioengineering tools to speed up the discovery and preclinical testing of vaccines for SARS-CoV-2 and therapeutic agents for COVID-19.

Theranostics 2020 27;10(16):7034-7052. Epub 2020 May 27.

Pediatric Clinical Research Center "Fondazione Romeo ed Enrica Invernizzi", Department of Biomedical and Clinical Sciences L. Sacco, University of Milano, Italy.

This review provides an update for the international research community on the cell modeling tools that could accelerate the understanding of SARS-CoV-2 infection mechanisms and could thus speed up the development of vaccines and therapeutic agents against COVID-19. Many bioengineering groups are actively developing frontier tools that are capable of providing realistic three-dimensional (3D) models for biological research, including cell culture scaffolds, microfluidic chambers for the culture of tissue equivalents and organoids, and implantable windows for intravital imaging. Here, we review the most innovative study models based on these bioengineering tools in the context of virology and vaccinology. Read More

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http://dx.doi.org/10.7150/thno.47406DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7330866PMC

Application of Genetic Algorithms for Pixel Selection in MIA-QSAR Studies on Anti-HIV HEPT Analogues for New Design Derivatives.

Iran J Pharm Res 2019 ;18(3):1239-1252

Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran.

Quantitative structure-activity relationship (QSAR) analysis has been carried out with a series of 107 anti-HIV HEPT compounds with antiviral activity, which was performed by chemometrics methods. Bi-dimensional images were used to calculate some pixels and multivariate image analysis was applied to QSAR modelling of the anti-HIV potential of HEPT analogues by means of multivariate calibration, such as principal component regression (PCR) and partial least squares (PLS). In this paper, we investigated the effect of pixel selection by application of genetic algorithms (GAs) for the PLS model. Read More

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http://dx.doi.org/10.22037/ijpr.2019.1100731DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6934972PMC
January 2019

Current Therapies Under Investigation for COVID-19.

Can J Physiol Pharmacol 2020 Jul 8. Epub 2020 Jul 8.

Dana Farber Cancer Institute, 1855, Boston, Massachusetts, United States ;

In response to the outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), researchers are expeditiously searching for antiviral treatments able to alleviate the symptoms of infection, which can be life-threatening. Here, we provide a general overview of what is currently known about the structure and characteristic features of SARS-CoV-2, some of which could potentially be exploited for the purposes of antiviral therapy and vaccine development. This mini-review also covers selected and noteworthy antiviral agents/supportive therapy out of hundreds of drugs that are being repurposed or tested as potential treatments for COVID-19, the disease caused by SARS-CoV. Read More

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http://dx.doi.org/10.1139/cjpp-2020-0286DOI Listing

Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach.

J Transl Med 2020 07 7;18(1):275. Epub 2020 Jul 7.

Department of Chemistry, United Arab Emirates University, Al-Ain, UAE.

Background: The Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) outbreak originating in Wuhan, China, has raised global health concerns and the pandemic has now been reported on all inhabited continents. Hitherto, no antiviral drug is available to combat this viral outbreak.

Methods: Keeping in mind the urgency of the situation, the current study was designed to devise new strategies for drug discovery and/or repositioning against SARS-CoV-2. Read More

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http://dx.doi.org/10.1186/s12967-020-02439-0DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7339606PMC

Role of Curcumin and (-)-Epigallocatechin-3--Gallate in Bladder Cancer Treatment: A Review.

Cancers (Basel) 2020 Jul 5;12(7). Epub 2020 Jul 5.

Department of Pharmaceutical Chemistry, Poznan University of Medical Sciences, Grunwaldzka 6, 60-780 Poznań, Poland.

The incidence of bladder cancer (BC) is increasing, and although current therapeutic approaches are effective in many cases, recurrence of BC is common. Therefore, it seems necessary to search not only for novel therapeutic approaches, but also for new therapeutic agents. Natural polyphenols, such as curcumin (CUR) and epigallocatechin gallate (EGCG), possess remarkable antitumor activity. Read More

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http://dx.doi.org/10.3390/cancers12071801DOI Listing

Chemistry and Biological Activities of 1,2,4-Triazolethiones-Antiviral and Anti-Infective Drugs.

Molecules 2020 Jul 3;25(13). Epub 2020 Jul 3.

Institute of Organic Chemistry, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany.

Mercapto-substituted 1,2,4-triazoles are very interesting compounds as they play an important role in chemopreventive and chemotherapeutic effects on cancer. In recent decades, literature has been enriched with sulfur- and nitrogen-containing heterocycles which are used as a basic nucleus of different heterocyclic compounds with various biological applications in medicine and also occupy a huge part of natural products. Therefore, we shed, herein, more light on the synthesis of this interesting class and its application as a biologically active moiety. Read More

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http://dx.doi.org/10.3390/molecules25133036DOI Listing

Recommender Systems in Antiviral Drug Discovery.

ACS Omega 2020 Jun 21;5(25):15039-15051. Epub 2020 Jun 21.

Center for Computational and Data-Intensive Science and Engineering, Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30/1, Moscow 143026, Russia.

Recommender systems (RSs), which underwent rapid development and had an enormous impact on e-commerce, have the potential to become useful tools for drug discovery. In this paper, we applied RS methods for the prediction of the antiviral activity class (active/inactive) for compounds extracted from ChEMBL. Two main RS approaches were applied: collaborative filtering (Surprise implementation) and content-based filtering (sparse-group inductive matrix completion (SGIMC) method). Read More

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http://dx.doi.org/10.1021/acsomega.0c00857DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7315437PMC

Preliminary Virtual Screening Studies to Identify GRP78 Inhibitors Which May Interfere with SARS-CoV-2 Infection.

Pharmaceuticals (Basel) 2020 Jun 25;13(6). Epub 2020 Jun 25.

Instituto de Investigação e Inovação em Saúde (i3S), University of Porto, 4200-135 Porto, Portugal.

SARS-CoV-2 Spike protein was predicted by molecular docking to bind the host cell surface GRP78, which was suggested as a putative good molecular target to inhibit Covid-19. We aimed to confirm that GRP78 gene expression was increased in blood of SARS-CoV-2 (+) versus SARS-CoV-2 (-) pneumonia patients. In addition, we aimed to identify drugs that could be repurposed to inhibit GRP78, thus with potential anti-SARS-CoV-2 activity. Read More

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http://dx.doi.org/10.3390/ph13060132DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7345920PMC

Purification and Characterization of Double-Stranded Nucleic Acid-Dependent ATPase Activities of Tagged Dicer-Related Helicase 1 and its Short Isoform in .

Genes (Basel) 2020 Jul 1;11(7). Epub 2020 Jul 1.

Molecular Genetics Laboratory, Department of Applied Chemistry and Life Science, Toyohashi University of Technology, Toyohashi, Aichi 441-8580, Japan.

The Dicer-related helicases (DRHs) are members of a helicase subfamily, and mammalian DRHs such as retinoic acid-inducible gene-I (RIG-I), are involved in antiviral immunity. DRH-1 and DRH-3 play crucial roles in antiviral function and chromosome segregation, respectively. Although intrinsic double-stranded RNA-dependent ATP-hydrolyzing activity has been observed in the recombinant DRH-3 protein prepared from , there are no reports of biochemical studies of the nematode RIG-I homolog DRH-1. Read More

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http://dx.doi.org/10.3390/genes11070734DOI Listing

Computer-Aided Design, Synthesis, and Antiviral Evaluation of Novel Acrylamides as Potential Inhibitors of E3-E2-E1 Glycoproteins Complex from Chikungunya Virus.

Pharmaceuticals (Basel) 2020 Jun 30;13(7). Epub 2020 Jun 30.

Laboratory of Medicinal Chemistry, Pharmaceutical Sciences Institute, Federal University of Alagoas, Maceió 57072-970, Brazil.

Chikungunya virus (CHIKV) causes an infectious disease characterized by inflammation and pain of the musculoskeletal tissues accompanied by swelling in the joints and cartilage damage. Currently, there are no licensed vaccines or chemotherapeutic agents to prevent or treat CHIKV infections. In this context, our research aimed to explore the potential anti-CHIKV activity of acrylamide derivatives. Read More

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http://dx.doi.org/10.3390/ph13070141DOI Listing

COVID19 inhibitors: A prospective therapeutics.

Authors:
Md Jawaid Akhtar

Bioorg Chem 2020 Jun 17;101:104027. Epub 2020 Jun 17.

Department of Pharmaceutical Chemistry, ISF College of Pharmacy, Ghal Kalan, Ferozpur G.T. Road, Moga 142001, Punjab, India. Electronic address:

The inhibition of viral targets might provide new therapies for coronavirus disease abbreviated as COVID-19. The rational drug design identified as much of the recent discoveries of potent drugs molecule against any targets. This results in an improvement in bindings for better potency and selectivity. Read More

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http://dx.doi.org/10.1016/j.bioorg.2020.104027DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7297670PMC

[Progress of research on effect and mechanism of Scutellariae Radix on preventing liver diseases].

Zhongguo Zhong Yao Za Zhi 2020 Jun;45(12):2808-2816

Jiangxi Key Laboratory of Natural Drug Research, College of Chemistry and Bioengineering,Yichun University Yichun 336000, China.

Scutellariae Radix is a kind of traditional Chinese medicine, which has the functions of heat-clearing and damp-drying, purging fire and detoxifying, hemostasis and miscarriage prevention. Modern pharmacological studies show that Scutellariae Radix has various effects, such as anti-oxidation, anti-inflammatory, liver protection and antiviral microorganisms. By searching the documents in the past ten years, the author has found that Scutellariae Radix and its active components play an important role in protecting the liver. Read More

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http://dx.doi.org/10.19540/j.cnki.cjcmm.20200224.403DOI Listing

Antineutrophil cytoplasmic antibodies (ANCA)-positive patient with infective endocarditis and chronic hepatitis B virus: a case report and review of the literature.

J Med Case Rep 2020 Jul 6;14(1):90. Epub 2020 Jul 6.

Division of Nephrology, Department of Internal Medicine, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, Hubei, People's Republic of China.

Background: Antineutrophil cytoplasmic antibodies comprise a family of autoantibodies that are often used as biomarkers for certain forms of small-vessel vasculitis; however, chronic infections tend to induce the production of antineutrophil cytoplasmic antibodies. Infective endocarditis and hepatitis B virus infection have been reported to exhibit antineutrophil cytoplasmic antibody positivity and to mimic antineutrophil cytoplasmic antibody-associated vasculitis, which may lead to misdiagnosis and inappropriate treatment.

Case Presentation: We report a case of a 46-year-old Han Chinese man with untreated chronic hepatitis B virus infection who featured proteinase-3 antineutrophil cytoplasmic antibody positivity while hospitalized with infective endocarditis. Read More

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http://dx.doi.org/10.1186/s13256-020-02373-1DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336675PMC

Structural, physical characteristics and biological activities assessment of scleroglucan from a local strain Athelia rolfsii TEMG.

Int J Biol Macromol 2020 Jul 2. Epub 2020 Jul 2.

Chemistry of Natural and Microbial Products Department, Pharmaceutical and Drug Industries Research Div., National Research Centre, Dokki, Cairo, Egypt. Electronic address:

Athelia rolfsii TEMG (MH 236106) an exopolysaccharide (EPS) producing fungal strain was isolated and identified. Extraction, purification, characterization, antimicrobial, antioxidant, antiviral and antitumor activities of the polysaccharide were investigated. It characterized as a homopolysaccharide of glucose with a molecular weight of 345. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2020.06.272DOI Listing

Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease.

Microb Pathog 2020 Jun 30:104365. Epub 2020 Jun 30.

School of Pharmacy, Laboratory of Bioprospection in Antimicrobial Molecules (LABIMAN), Federal University of Ceara, Fortaleza, CE, Brazil; Drug Research and Development Center, Federal University of Ceará, Fortaleza, CE, Brazil. Electronic address:

Coronavirus (COVID-19) is an enveloped RNA virus that is diversely found in humans and that has now been declared a global pandemic by the World Health Organization. Thus, there is an urgent need to develop effective therapies and vaccines against this disease. In this context, this study aimed to evaluate in silico the molecular interactions of drugs with therapeutic indications for treatment of COVID-19 (Azithromycin, Baricitinib and Hydroxychloroquine) and drugs with similar structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 main protease (M-pro) protein. Read More

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http://dx.doi.org/10.1016/j.micpath.2020.104365DOI Listing

Intermolecular interactions of cn-716 and acyl-KR-aldehyde dipeptide inhibitors against Zika virus.

Phys Chem Chem Phys 2020 Jul 3. Epub 2020 Jul 3.

Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970, Natal, RN, Brazil.

The emergent Zika virus (ZIKV) infection has become a threat to global health due to its association with severe neurological abnormalities, namely Guillain-Barré Syndrome (GBS) in adults and Congenital Zika virus Syndrome (CZS) in neonates. Many studies are nowadays being conducted to find an effective antiviral drug against ZIKV. In particular, NS2B-NS3 protease is an attractive drug target due to its essential function in viral replication, although a drug is not yet commercially available. Read More

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http://dx.doi.org/10.1039/d0cp02254cDOI Listing

The chronicle of COVID-19: possible strategies to curb the pandemic.

Curr Med Chem 2020 Jul 2. Epub 2020 Jul 2.

Division of Drug Design and Medicinal Chemistry Research Lab, Department of Pharmaceutical Chemistry, Ahalia School of Pharmacy, Palakkad, 678557, Kerala. India.

COVID-19, an epidemic that emerged in Wuhan, has become a pandemic affecting worldwide and is in a rapidly evolving condition. Day by day, the confirmed cases and deaths are increasing many folds. SARS-CoV-2 is a novel virus; therefore, limited data are available to curb the disease. Read More

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http://dx.doi.org/10.2174/0929867327666200702151018DOI Listing
July 2020
3.853 Impact Factor

Structure-based identification of small molecules against influenza A virus endonuclease: an in silico and in vitro approach.

Pathog Dis 2020 Jul 2. Epub 2020 Jul 2.

Manipal Institute of Virology, Manipal Academy of Higher Education, Manipal, Karnataka, India.

Influenza viruses are known to cause acute respiratory illness, sometimes leading to high mortality rates. Though there are approved influenza antivirals available, their efficacy has reduced over time, due to the drug resistance crisis. There is a perpetual need for newer and better drugs. Read More

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http://dx.doi.org/10.1093/femspd/ftaa032DOI Listing

Potential Treatments for COVID-19 Related Cytokine Storm - Beyond Corticosteroids.

Front Immunol 2020 16;11:1445. Epub 2020 Jun 16.

Department of Hematology, The First Affiliated Hospital of Nanjing Medical University, Jiangsu Province Hospital, Nanjing, China.

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http://dx.doi.org/10.3389/fimmu.2020.01445DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7308586PMC

Clinical management of COVID-19.

Indian J Med Res 2020 May;151(5):401-410

Department of General Medicine & Infectious Diseases, Christian Medical College, Vellore, Tamil Nadu, India.

The novel coronavirus disease 2019 (COVID-19) with its early origin from Wuhan city in China has evolved into a global pandemic. Maximal precautionary measures and resources have been put forward by most nations in war footing to mitigate transmission and decrease fatality rates. This article was aimed to review the evidence on clinical management and to deal with the identification of high-risk groups, warning signs, appropriate investigations, proper sample collection for confirmation, general and specific treatment measures, strategies as well as infection control in the healthcare settings. Read More

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http://dx.doi.org/10.4103/ijmr.IJMR_957_20DOI Listing

Identification of a druggable binding pocket in the spike protein reveals a key site for existing drugs potentially capable of combating Covid-19 infectivity.

BMC Mol Cell Biol 2020 Jul 1;21(1):49. Epub 2020 Jul 1.

School of Biological and Chemical Sciences, Queen Mary University of London, Mile End Road, London, E1 4NS, UK.

Background: Following the recent outbreak of the new coronavirus pandemic (Covid-19), the rapid determination of the structure of the homo-trimeric spike glycoprotein has prompted the study reported here. The aims were to identify potential "druggable" binding pockets in the protein and, if located, to virtual screen pharmaceutical agents currently in use for predicted affinity to these pockets which might be useful to restrict, reduce, or inhibit the infectivity of the virion.

Results: Our analyses of this structure have revealed a key potentially druggable pocket where it might be viable to bind pharmaceutical agents to inhibit its ability to infect human cells. Read More

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http://dx.doi.org/10.1186/s12860-020-00294-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7327214PMC

Reprogramming of the Antibacterial Drug Vancomycin Results in Potent Antiviral Agents Devoid of Antibacterial Activity.

Pharmaceuticals (Basel) 2020 Jun 29;13(7). Epub 2020 Jun 29.

Department of Pharmaceutical Chemistry, University of Debrecen, Egyetem tér 1, H-4032 Debrecen, Hungary.

Influenza A and B viruses are a global threat to human health and increasing resistance to the existing antiviral drugs necessitates new concepts to expand the therapeutic options. Glycopeptide derivatives have emerged as a promising new class of antiviral agents. To avoid potential antibiotic resistance, these antiviral glycopeptides are preferably devoid of antibiotic activity. Read More

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http://dx.doi.org/10.3390/ph13070139DOI Listing

Managing COVID-19 spread with voluntary public-health measures: Sweden as a case study for pandemic control.

Clin Infect Dis 2020 Jul 1. Epub 2020 Jul 1.

Science for Life Laboratory, Dept. of Cell and Molecular Biology, Uppsala University.

Background: The COVID-19 pandemic has spread globally, causing extensive illness and mortality. In advance of effective antiviral therapies, countries have applied different public-health strategies to control spread and manage healthcare need. Sweden has taken a unique approach of not implementing strict closures, instead urging personal responsibility. Read More

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http://dx.doi.org/10.1093/cid/ciaa864DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7337695PMC

Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface.

Proc Natl Acad Sci U S A 2020 Jun 30. Epub 2020 Jun 30.

Warp Drive Bio, Inc., Redwood City, CA 94063;

The vast majority of intracellular protein targets are refractory toward small-molecule therapeutic engagement, and additional therapeutic modalities are needed to overcome this deficiency. Here, the identification and characterization of a natural product, WDB002, reveals a therapeutic modality that dramatically expands the currently accepted limits of druggability. WDB002, in complex with the FK506-binding protein (FKBP12), potently and selectively binds the human centrosomal protein 250 (CEP250), resulting in disruption of CEP250 function in cells. Read More

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http://dx.doi.org/10.1073/pnas.2006560117DOI Listing

Bioactive Indolyl Diketopiperazines from the Marine Derived Endophytic DY180635.

Mar Drugs 2020 Jun 28;18(7). Epub 2020 Jun 28.

State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, 130 Mei Long Road, Shanghai 200237, China.

Four new indolyl diketopiperazines, aspamides A-E (- and two new diketopiperazines, aspamides F-G (), along with 11 known diketopiperazines and intermediates were isolated from the solid culture of , which is an endophyte with the sea crab (). Further chiral high-performance liquid chromatography resolution gave enantiomers (+)- and (-)-, respectively. The structures and absolute configurations of compounds - were determined by the comprehensive analyses of nuclear magnetic resonance (NMR), high-resolution mass spectrometry (HR-MS), and electronic circular dichroism (ECD) calculation. Read More

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http://dx.doi.org/10.3390/md18070338DOI Listing

Aromatic Herbs, Medicinal Plant-Derived Essential Oils, and Phytochemical Extracts as Potential Therapies for Coronaviruses: Future Perspectives.

Plants (Basel) 2020 Jun 26;9(6). Epub 2020 Jun 26.

Department of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USA.

After its recent discovery in patients with serious pneumonia in Wuhan (China), the 2019 novel coronavirus (2019-nCoV), named also Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), has spread quickly. Unfortunately, no drug or vaccine for treating human this coronavirus infection is available yet. Numerous options for controlling or preventing emerging 2019-nCoV infections may be predicted, including vaccines, interferon therapies, and small-molecule drugs. Read More

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http://dx.doi.org/10.3390/plants9060800DOI Listing

Data and Text Mining Help Identify Key Proteins Involved in the Molecular Mechanisms Shared by SARS-CoV-2 and HIV-1.

Molecules 2020 Jun 26;25(12). Epub 2020 Jun 26.

Department for Bioinformatics, Institute of Biomedical Chemistry, 107076 Moscow, Russia.

Viruses can be spread from one person to another; therefore, they may cause disorders in many people, sometimes leading to epidemics and even pandemics. New, previously unstudied viruses and some specific mutant or recombinant variants of known viruses constantly appear. An example is a variant of coronaviruses (CoV) causing severe acute respiratory syndrome (SARS), named SARS-CoV-2. Read More

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http://dx.doi.org/10.3390/molecules25122944DOI Listing
June 2020
2.416 Impact Factor

SARS-CoV-2 Evolutionary Adaptation toward Host Entry and Recognition of Receptor O-Acetyl Sialylation in Virus-Host Interaction.

Authors:
Cheorl-Ho Kim

Int J Mol Sci 2020 Jun 26;21(12). Epub 2020 Jun 26.

Molecular and Cellular Glycobiology Unit, Department of Biological Sciences, Sungkyunkwan University, Suwon 16419, Korea.

The recently emerged SARS-CoV-2 is the cause of the global health crisis of the coronavirus disease 2019 (COVID-19) pandemic. No evidence is yet available for CoV infection into hosts upon zoonotic disease outbreak, although the CoV epidemy resembles influenza viruses, which use sialic acid (SA). Currently, information on SARS-CoV-2 and its receptors is limited. Read More

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http://dx.doi.org/10.3390/ijms21124549DOI Listing

Advances in Antimicrobial Microneedle Patches for Combating Infections.

Adv Mater 2020 Jun 29:e2002129. Epub 2020 Jun 29.

Institute for Polymers, Composites, and Biomaterials (IPCB), National Research Council (CNR), Naples, 80125, Italy.

Skin infections caused by bacteria, viruses and fungi are difficult to treat by conventional topical administration because of poor drug penetration across the stratum corneum. This results in low bioavailability of drugs to the infection site, as well as the lack of prolonged release. Emerging antimicrobial transdermal and ocular microneedle patches have become promising medical devices for the delivery of various antibacterial, antifungal, and antiviral therapeutics. Read More

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http://dx.doi.org/10.1002/adma.202002129DOI Listing

Class A G Protein-Coupled Receptor Antagonist Famotidine as a Therapeutic Alternative Against SARS-CoV2: An In Silico Analysis.

Biomolecules 2020 Jun 24;10(6). Epub 2020 Jun 24.

Department of Pharmacology, Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, OH 44106, USA.

The pandemic associated with Severe Acute Respiratory Syndrome Coronavirus type 2 (SARS-CoV2) and its disease named COVID-19 challenged the scientific community to discover effective therapeutic solutions in a short period. Repurposing existing drugs is one viable approach that emphasizes speed during these urgent times. Famotidine, a class A G protein-coupled receptor antagonist used for the treatment of gastroesophageal reflux was recently identified in an in silico screening. Read More

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http://dx.doi.org/10.3390/biom10060954DOI Listing

Nuclear Egress Complexes of HCMV and Other Herpesviruses: Solving the Puzzle of Sequence Coevolution, Conserved Structures and Subfamily-Spanning Binding Properties.

Viruses 2020 Jun 24;12(6). Epub 2020 Jun 24.

Division of Bioinformatics, Institute of Biochemistry, Friedrich-Alexander University of Erlangen-Nürnberg, 91054 Erlangen, Germany.

Herpesviruses uniquely express two essential nuclear egress-regulating proteins forming a heterodimeric nuclear egress complex (core NEC). These core NECs serve as hexameric lattice-structured platforms for capsid docking and recruit viral and cellular NEC-associated factors that jointly exert nuclear lamina as well as membrane-rearranging functions (multicomponent NEC). The regulation of nuclear egress has been profoundly analyzed for murine and human cytomegaloviruses (CMVs) on a mechanistic basis, followed by the description of core NEC crystal structures, first for HCMV, then HSV-1, PRV and EBV. Read More

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http://dx.doi.org/10.3390/v12060683DOI Listing

Virtual Screening Identifies Chebulagic Acid as an Inhibitor of the M2(S31N) Viral Ion Channel and Influenza A Virus.

Molecules 2020 Jun 24;25(12). Epub 2020 Jun 24.

Faculty of Health Sciences, Simon Fraser University, Burnaby, BC V5A 1S6, Canada.

The increasing prevalence of drug-resistant influenza viruses emphasizes the need for new antiviral countermeasures. The M2 protein of influenza A is a proton-gated, proton-selective ion channel, which is essential for influenza replication and an established antiviral target. However, all currently circulating influenza A virus strains are now resistant to licensed M2-targeting adamantane drugs, primarily due to the widespread prevalence of an M2 variant encoding a serine to asparagine 31 mutation (S31N). Read More

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http://dx.doi.org/10.3390/molecules25122903DOI Listing
June 2020
2.416 Impact Factor

Free light chain kappa and the polyspecific immune response in MS and CIS - Application of the hyperbolic reference range for most reliable data interpretation.

J Neuroimmunol 2020 Jun 12;346:577287. Epub 2020 Jun 12.

Institute of Clinical Chemistry and Laboratory Medicine, University Medicine Greifswald, Greifswald, Germany. Electronic address:

Objectives: Free light chain kappa (FLC-k) in cerebrospinal fluid (CSF) is involved in intrathecal immune responses and is being investigated frequently for its diagnostic sensitivity. The objective of this study was the application and interpretation of FLC-k data in quotient diagrams with a hyperbolic reference range and to confirm the superior evaluation in comparison with another proposed reference method and cut-off values. Secondly, the performance of the FLC-k quotient diagram was analyzed in respect to MS and CIS patients and in relation to the polyspecific immune response. Read More

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http://dx.doi.org/10.1016/j.jneuroim.2020.577287DOI Listing

Potential therapeutic use of ebselen for COVID-19 and other respiratory viral infections.

Free Radic Biol Med 2020 Jun 26;156:107-112. Epub 2020 Jun 26.

Faculty of Biochemistry, Chemistry and Pharmacy, JW Goethe University Frankfurt, Bad Soden am Taunus, Germany; Pharmacology Consultant, JW Goethe University Frankfurt, Bad Soden am Taunus, Germany. Electronic address:

Ebselen is an organoselenium compound exhibiting hydroperoxide- and peroxynitrite-reducing activity, acting as a glutathione peroxidase and peroxiredoxin enzyme mimetic. Ebselen reacts with a multitude of protein thiols, forming a selenosulfide bond, which results in pleiotropic effects of antiviral, antibacterial and anti-inflammatory nature. The main protease (M) of the corona virus SARS-CoV-2 is a potential drug target, and a screen with over 10,000 compounds identified ebselen as a particularly promising inhibitor of M (Jin, Z. Read More

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http://dx.doi.org/10.1016/j.freeradbiomed.2020.06.032DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7319625PMC

Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease.

J Biomol Struct Dyn 2020 Jun 29:1-8. Epub 2020 Jun 29.

Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.

SARS-CoV-2 or Coronavirus disease 19 (COVID-19) is a rapidly spreading, highly contagious, and sometimes fatal disease for which drug discovery and vaccine development are critical. SARS-CoV-2 papain-like protease (PL) was used to virtually screen 1697 clinical FDA-approved drugs. Among the top results expected to bind with SARS-CoV-2 PL strongly were three cell protectives and antioxidants (NAD+, quercitrin, and oxiglutatione), three antivirals (ritonavir, moroxydine, and zanamivir), two antimicrobials (doripenem and sulfaguanidine), two anticancer drugs, three benzimidazole anthelmintics, one antacid (famotidine), three anti-hypertensive ACE receptor blockers (candesartan, losartan, and valsartan) and other miscellaneous systemically or topically acting drugs. Read More

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http://dx.doi.org/10.1080/07391102.2020.1784291DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7332862PMC

Sofosbuvir Thio-analogues: Synthesis and Antiviral Evaluation of the First Novel Pyridine- and Pyrimidine-Based Thioglycoside Phosphoramidates.

ACS Omega 2020 Jun 9;5(24):14645-14655. Epub 2020 Jun 9.

Chemistry Department, Faculty of Science, Helwan University, Helwan, Cairo 11795, Egypt.

The synthesis and antiviral screening of the first reported series of pyridine- and pyrimidine-based thioglycoside phosphoramidates are herein reported. They were prepared through two synthetic steps: The first step is via coupling of mercapto-derivatized heterocyclic bases with the appropriate α-bromo per-acetylated sugars. The second one is the hydrolysis of the acetate esters under basic conditions that were consequently conjugated with the phosphoramidating reagent to afford the desired thioglycoside protides. Read More

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http://dx.doi.org/10.1021/acsomega.0c01364DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7315579PMC

Covid-19: current knowledge, disease potential, prevention and clinical advances.

Turk J Biol 2020 21;44(3):121-131. Epub 2020 Jun 21.

Center for Interdisciplinary Research in Basic Sciences, JMI University, New Delhi India.

The top priority of any nation is to lead the nation towards prosperity, progress, and economic growth, confronting several challenges and concerns arisen from global situations. The sudden outbreak of any disease defies the health care systems and economy of nations. COVID-19 is one of the viral diseases which broke out in Wuhan city of China in 2019. Read More

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http://dx.doi.org/10.3906/biy-2005-29DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7314501PMC
June 2020
1.343 Impact Factor