Antiviral Properties - Explore the Science & Experts | ideXlab

Scan Science and Technology

Contact Leading Edge Experts & Companies

Antiviral Properties

The Experts below are selected from a list of 309 Experts worldwide ranked by ideXlab platform

Alexander J A Cobb – 1st expert on this subject based on the ideXlab platform

  • synthesis and Antiviral Properties of spirocyclic 1 2 3 triazolooxazine nucleosides
    ChemInform, 2015
    Co-Authors: Antonio Dellisola, Matthew M W Mclachlan, Benjamin W Neuman, Hawaa M N Almullah, Alexander W D Binks, Warren Elvidge, Kenneth Shankland, Alexander J A Cobb

    Abstract:

    A synthetic route to the title compound class is presented, including a 1,3-dipolar cycloaddition as the key-step.

  • synthesis and Antiviral Properties of spirocyclic 1 2 3 triazolooxazine nucleosides
    Chemistry: A European Journal, 2014
    Co-Authors: Antonio Dellisola, Matthew M W Mclachlan, Benjamin W Neuman, Hawaa M N Almullah, Alexander W D Binks, Warren Elvidge, Kenneth Shankland, Alexander J A Cobb

    Abstract:

    Abstract: An efficient synthesis of spirocyclic triazolooxa-zine nucleosides is described. This was achieved by theconversion of b-d-psicofuranose to the correspondingazido-derivative, followed by alkylation of the primary al-cohol with a range of propargyl bromides, obtained bySonogashira chemistry. The products of these reactionsunderwent 1,3-dipolar addition smoothly to generate theprotected spirocyclic adducts. These were easily depro-tected to give the corresponding ribose nucleosides. Thelibrary of compounds obtained was investigated for its an-tiviral activity using MHV (mouse hepatitis virus) asa model wherein derivative 3fshowed the most promis-ing activity and tolerability.The design and synthesis of nucleoside analogues has beena subject of great interest in the discovery of novel anticancerand Antiviral agents owing to the fact that they can be in-volved in the disruption of nucleic acid biosynthesis and thusinhibit cellular division and viral replication. [1] Additionally, theyhave been utilised for various gene-silencing techniques asconstituents of antisense oligonucleotides, small interferingRNAs (siRNAs) and microRNA-targeting oligonucleotides (anti-miRNAs).

Divya Bhanu – 2nd expert on this subject based on the ideXlab platform

  • Whole Genome Sequence Analysis and Homology Modelling of Main Protease and Non-Structural Protein 3 of the SARS-CoV-2 reveals an Aza-Peptide and a Lead Inhibitor with Possible Antiviral Properties
    New Journal of Chemistry, 2020
    Co-Authors: Arun Kumar Shankar, Anajani Alluri, Divya Bhanu, Samriddhi Gupta

    Abstract:

    The family of viruses belonging to Coronaviridae consist of virulent pathogens that have a zoonotic property, Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) of this family have emerged before and now the SARS-CoV-2 has emerged globally. Characterization of spike glycoproteins, polyproteins and other viral proteins from viruses are important for vaccine development. Homology modelling of these proteins with known templates offers the opportunity to discover ligand binding sites and explore the possible Antiviral Properties of these protein ligand complexes. In this study we did a complete bioinformatic analysis, sequence alignment, comparison of multiple sequences and homology modelling of the SARS-CoV-2 whole genome sequences, the spike protein and the polyproteins for homology with known proteins, we also analysed receptor binding sites in these models for possible binding with ligands that exhibit Antiviral Properties. Our results showed that the sequence of the polyprotein isolate SARS-CoV-2_HKU-SZ-001_2020 had 98.94 percent identity with SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors. Our results indicate that a part of the viral genome (residues 3268 -3573 in Frame 2 with 306 amino acids) of the SARS-CoV-2 virus isolate Wuhan-Hu-1 (Genbank Accession Number MN908947.3) when modelled with template 2a5i of the PDB database had 96 percent identity with a 3C like peptidase of SARS-CoV which has ability to bind with Aza-Peptide Epoxide (APE) which is known for irreversible inhibition of SARS-CoV main peptidase. Docking profile with 9 different conformations of the ligand with the protein model using Autodock Vina showed an affinity of -7.1 Kcal/mol. This region was conserved in 831 genomes of SARS-CoV-2. The part of the genome (residues 1568-1882 in Frame 2 with 315 amino acids) when modelled with template 3e9s of the PDB database had 82 percent identity with a papain-like protease/deubiquitinase which when complexed with ligand GRL0617 acts as inhibitor which can block SARS-CoV replication. Docking profile with 9 different conformation of the ligand with the protein model using Autodock Vina showed an affinity of -7.9 Kcal/mol. This region was conserved in 831 genomes of SARS-CoV-2. It is possible that these ligands can be used as Antivirals of SARS-CoV-2.

  • Whole Genome Sequence Analysis and Homology Modelling of a 3C Like Peptidase and a Non-Structural Protein 3 of the SARS-CoV-2 Shows Protein Ligand Interaction with an Aza-Peptide and a Noncovalent Lead Inhibitor with Possible Antiviral Properties
    , 2020
    Co-Authors: Arun Shanker, Anajani Alluri, Divya Bhanu, Samriddhi Gupta

    Abstract:

    <p></p><p>The
    family of viruses belonging to Coronaviridae mainly consist of virulent
    pathogens that have a zoonotic property, Severe Acute Respiratory Syndrome
    (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) of this family have emerged
    before and now the SARS-CoV-2 has emerged in China. Characterization of spike
    glycoproteins, polyproteins and other viral proteins from viruses are important
    for vaccine development. Homology modelling of these proteins with known
    templates offers the opportunity to discover ligand binding sites and explore
    the possible Antiviral Properties of these protein ligand complexes. In this
    study we did a complete bioinformatic analysis, sequence alignment, comparison
    of multiple sequences and homology modelling of the <a>SARS-CoV-2
    </a>whole genome sequences, the spike protein and the polyproteins for homology
    with known proteins, we also analysed receptor binding sites in these models
    for possible binding with ligands that exhibit Antiviral Properties. Our
    results showed that the tertiary structure of the polyprotein isolate SARS-CoV-2_HKU-SZ-001_2020
    had 98.94 percent identity with SARS-Coronavirus NSP12 bound to NSP7 and NSP8
    co-factors. <a>Our results indicate that a part of the
    viral genome </a><a>(residues 3268 -3573 in Frame 2 with
    306 amino acids) of the SARS-CoV-2 virus isolate Wuhan-Hu-1
    (Genbank Accession Number MN908947.3) </a>when modelled with template 2a5i of the PDB database had 96 percent identity with a 3C like
    peptidase of SARS-CoV which has ability to bind with Aza-Peptide Epoxide (APE)
    which is known for irreversible
    inhibition of SARS-CoV main peptidase. Docking profile with 9 different conformations
    of the ligand with the protein model using Autodock Vina showed an affinity of
    -7.1 Kcal/mol. This region was conserved
    in 831 genomes of SARS-CoV-2. The part of the genome (residues 1568-1882 in Frame 2 with 315 amino acids) when
    modelled with template 3e9s of the PDB database had 82 percent identity with a
    papain-like protease/deubiquitinase which when complexed with ligand GRL0617
    acts as inhibitor which can block SARS-CoV replication. Docking profile with 9
    different conformation of the ligand with the protein model using Autodock Vina showed
    an affinity of -7.9 Kcal/mol. This
    region was conserved in 831 genomes of SARS-CoV-2. It is possible that these ligands
    can be Antivirals of SARS-CoV-2. </p><p></p><p></p>

  • Whole Genome Sequence Analysis and Homology Modelling of a 3C Like Peptidase and a Non-Structural Protein 3 of the SARS-CoV-2 Shows Protein Ligand Interaction with an Aza-Peptide and a Noncovalent Lead Inhibitor with Possible Antiviral Properties
    , 2020
    Co-Authors: Arun Shanker, Divya Bhanu, Anajani Alluri

    Abstract:

    <p></p><p>The
    family of viruses belonging to Coronaviridae mainly consist of virulent
    pathogens that have a zoonotic property, Severe Acute Respiratory Syndrome
    (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) of this family have emerged
    before and now the SARS-CoV-2 has emerged in China. Characterization of spike
    glycoproteins, polyproteins and other viral proteins from viruses are important
    for vaccine development. Homology modelling of these proteins with known
    templates offers the opportunity to discover ligand binding sites and explore
    the possible Antiviral Properties of these protein ligand complexes. Any
    information emerging from these protein models can be used for vaccine
    development. In this study we did a complete bioinformatic analysis, sequence
    alignment, comparison of multiple sequences and homology modelling of the <a>SARS-CoV-2 </a>whole genome sequences, the spike protein
    and the polyproteins for homology with known proteins, we also analysed
    receptor binding sites in these models for possible binding with ligands that
    exhibit Antiviral Properties. Our results showed that the tertiary structure of
    the polyprotein isolate SARS-CoV-2_HKU-SZ-001_2020 had 98.94 percent identity
    with SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors. <a>Our results indicate that a part of the viral genome </a><a>(residues 3268 -3573 in Frame 2 with
    306 amino acids) of the SARS-CoV-2 virus isolate Wuhan-Hu-1
    (Genbank Accession Number MN908947.3) </a>when
    modelled with template 2a5i of the PDB
    database had 96 percent identity with a
    3C like peptidase of SARS-CoV which has ability to bind with Aza-Peptide
    Epoxide (APE) which is known for
    irreversible inhibition of SARS-CoV main peptidase. The part of the genome
    (residues 1568-1882 in Frame 2 with 315
    amino acids) when modelled with template 3e9s of the PDB database had 82 percent
    identity with a papain-like protease/deubiquitinase which when complexed with
    ligand GRL0617 acts as inhibitor which can block SARS-CoV replication. The
    regions studied was conserved in more than 90 genomes of SARS-CoV-2. It is
    possible that these viral inhibiters can be used for vaccine development for
    the SARS-CoV-2.</p><p></p><p></p>

Stewart W. Schneller – 3rd expert on this subject based on the ideXlab platform

  • 2- and 3-Fluoro-3-deazaneplanocins, 2-fluoro-3-deazaaristeromycins, and 3-methyl-3-deazaneplanocin: Synthesis and Antiviral Properties.
    Bioorganic & Medicinal Chemistry, 2015
    Co-Authors: Qi Chen, John D. Gorden, Stewart W. Schneller

    Abstract:

    The 3-deaza analogs of the naturally occurring adenine-based carbocyclic nucleosides aristeromycin and neplanocin possess biological Properties that have not been optimized. In that direction, this paper reports the strategic placement of a fluorine atom at the C-2 and C-3 positions and a methyl at the C-3 site of the 3-deazaadenine ring of the aforementioned compounds. The synthesis and S-adenosylhomocysteine hydrolase inhibitory and Antiviral Properties of these targets are described. Some, but not all, compounds in this series showed significant activity toward herpes, arena, bunya, flavi, and orthomyxoviruses.

  • c 3 halo and 3 methyl substituted 5 nor 3 deazaaristeromycins synthesis and Antiviral Properties
    Bioorganic & Medicinal Chemistry, 2013
    Co-Authors: Qi Chen, Minmin Yang, Stewart W. Schneller

    Abstract:

    Abstract To expand on the Antiviral Properties of 5′-noraristeromycin, synthetic entry into 3-substituted 3-deaza-5′-noraristeromyin derivatives (i.e., bromo, 4 ; iodo, 5 ; chloro, 6 ; and, methyl, 7 ) has been accomplished from a common intermediate. An extensive Antiviral analysis showed 7 to be basically inactive (except for weak effects against VSV) and there were no general trends among the halo compounds (except versus reovirus-1 and influenza B). Individually, compound 4 was most favorable towards HCMV, VZV, HBV, and VV; product 5 against HBV, VSV, VV, influenza B, HCMV, and measles; and, target 6 towards Punta Toro, VSV, measles, parainflucenza-3, influenza A (H5N1), and influenza B. The methyl target 7 was inactive in all viral assays.

  • C-3 halo and 3-methyl substituted 5′-nor-3-deazaaristeromycins: Synthesis and Antiviral Properties
    Bioorganic & Medicinal Chemistry, 2012
    Co-Authors: Qi Chen, Minmin Yang, Stewart W. Schneller

    Abstract:

    Abstract To expand on the Antiviral Properties of 5′-noraristeromycin, synthetic entry into 3-substituted 3-deaza-5′-noraristeromyin derivatives (i.e., bromo, 4 ; iodo, 5 ; chloro, 6 ; and, methyl, 7 ) has been accomplished from a common intermediate. An extensive Antiviral analysis showed 7 to be basically inactive (except for weak effects against VSV) and there were no general trends among the halo compounds (except versus reovirus-1 and influenza B). Individually, compound 4 was most favorable towards HCMV, VZV, HBV, and VV; product 5 against HBV, VSV, VV, influenza B, HCMV, and measles; and, target 6 towards Punta Toro, VSV, measles, parainflucenza-3, influenza A (H5N1), and influenza B. The methyl target 7 was inactive in all viral assays.