LIVIVO - The Search Portal for Life Sciences

zur deutschen Oberfläche wechseln
Advanced search

Search results

Result 1 - 9 of total 9

Search options

  1. Article ; Online: Interaction of Drug Candidates with Various SARS-CoV-2 Receptors: An in Silico Study to Combat COVID-19.

    Barros, Romulo O / Junior, Fabio L C C / Pereira, Wildrimak S / Oliveira, Neiva M N / Ramos, Ricardo M

    Journal of proteome research

    2020  Volume 19, Issue 11, Page(s) 4567–4575

    Abstract: The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world, and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with ... ...

    Abstract The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world, and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with the involvement of all members of society. Research institutions are accelerating the discovery of vaccines and therapies for COVID-19. In this work, molecular docking was used to study (in silico) the interaction of 24 ligands, divided into four groups, with four SARS-CoV-2 receptors, Nsp9 replicase, main protease (Mpro), NSP15 endoribonuclease, and spike protein (S-protein) interacting with human ACE2. The results showed that the antimalarial drug Metaquine and anti-HIV antiretroviral Saquinavir interacted with all the studied receptors, indicating that they are potential candidates for multitarget drugs for COVID-19.
    MeSH term(s) Antiviral Agents/chemistry ; Antiviral Agents/metabolism ; Betacoronavirus/chemistry ; Betacoronavirus/metabolism ; COVID-19 ; Coronavirus Infections/drug therapy ; Coronavirus Infections/virology ; Drug Discovery/methods ; Humans ; Molecular Docking Simulation ; Pandemics ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/virology ; Protein Binding ; SARS-CoV-2 ; Viral Proteins/chemistry ; Viral Proteins/metabolism
    Chemical Substances Antiviral Agents ; Viral Proteins
    Keywords covid19
    Language English
    Publishing date 2020-08-11
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2078618-9
    ISSN 1535-3907 ; 1535-3893
    ISSN (online) 1535-3907
    ISSN 1535-3893
    DOI 10.1021/acs.jproteome.0c00327
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 6189: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  2. Article ; Online: Computational investigation of the alkaloids of

    de Sá, Ézio R A / Souza, Janilson L / Costa, Rayla K M / Barros, Rômulo O / de Lima, Carlos E B / Lima, Francisco das C A / Ramos, Ricardo M

    Journal of biomolecular structure & dynamics

    2022  Volume 41, Issue 6, Page(s) 2555–2573

    Abstract: Trypanosoma ... ...

    Abstract Trypanosoma cruzi
    MeSH term(s) Humans ; Trypanosoma cruzi ; Pilocarpus/chemistry ; Molecular Docking Simulation ; Peptide Hydrolases ; Sterols ; Alkaloids/chemistry ; Chagas Disease/drug therapy ; Endopeptidases
    Chemical Substances Peptide Hydrolases (EC 3.4.-) ; Sterols ; Alkaloids ; Endopeptidases (EC 3.4.-)
    Language English
    Publishing date 2022-02-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2022.2035819
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  3. Article: Interaction of Drug Candidates with Various SARS-CoV-2 Receptors: An in Silico Study to Combat COVID-19

    Barros, Romulo O / Junior, Fabio L C C / Pereira, Wildrimak S / Oliveira, Neiva M N / Ramos, Ricardo M

    J Proteome Res

    Abstract: The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world, and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with ... ...

    Abstract The world is currently facing the COVID-19 pandemic caused by the SARS-CoV-2 virus. The pandemic is causing the death of people around the world, and public and social health measures to slow or prevent the spread of COVID-19 are being implemented with the involvement of all members of society. Research institutions are accelerating the discovery of vaccines and therapies for COVID-19. In this work, molecular docking was used to study (in silico) the interaction of 24 ligands, divided into four groups, with four SARS-CoV-2 receptors, Nsp9 replicase, main protease (Mpro), NSP15 endoribonuclease, and spike protein (S-protein) interacting with human ACE2. The results showed that the antimalarial drug Metaquine and anti-HIV antiretroviral Saquinavir interacted with all the studied receptors, indicating that they are potential candidates for multitarget drugs for COVID-19.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #722118
    Database COVID19

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  4. Article ; Online: Interaction of Drug Candidates with Various SARS-CoV-2 Receptors

    Barros, Romulo O. / Junior, Fabio L. C. C. / Pereira, Wildrimak S. / Oliveira, Neiva M. N. / Ramos, Ricardo M.

    Journal of Proteome Research

    An in Silico Study to Combat COVID-19

    2020  Volume 19, Issue 11, Page(s) 4567–4575

    Keywords Biochemistry ; General Chemistry ; covid19
    Language English
    Publisher American Chemical Society (ACS)
    Publishing country us
    Document type Article ; Online
    ZDB-ID 2078618-9
    ISSN 1535-3893
    ISSN 1535-3893
    DOI 10.1021/acs.jproteome.0c00327
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 6189: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  5. Article ; Online: Antiviral potential of diminazene aceturate against SARS-CoV-2 proteases using computational and in vitro approaches.

    Santos, Esley S / Silva, Priscila C / Sousa, Paulo S A / Aquino, Cristhyane C / Pacheco, Gabriella / Teixeira, Luiz F L S / Araujo, Alyne R / Sousa, Francisca B M / Barros, Romulo O / Ramos, Ricardo M / Rocha, Jefferson A / Nicolau, Lucas A D / Medeiros, Jand V R

    Chemico-biological interactions

    2022  Volume 367, Page(s) 110161

    Abstract: Diminazene aceturate (DIZE), an antiparasitic, is an ACE2 activator, and studies show that activators of this enzyme may be beneficial for COVID-19, disease caused by SARS-CoV-2. Thus, the objective was to evaluate the in silico and in vitro affinity of ... ...

    Abstract Diminazene aceturate (DIZE), an antiparasitic, is an ACE2 activator, and studies show that activators of this enzyme may be beneficial for COVID-19, disease caused by SARS-CoV-2. Thus, the objective was to evaluate the in silico and in vitro affinity of diminazene aceturate against molecular targets of SARS-CoV-2. 3D structures from DIZE and the proteases from SARS-CoV-2, obtained through the Protein Data Bank and Drug Database (Drubank), and processed in computer programs like AutodockTools, LigPlot, Pymol for molecular docking and visualization and GROMACS was used to perform molecular dynamics. The results demonstrate that DIZE could interact with all tested targets, and the best binding energies were obtained from the interaction of Protein S (closed conformation -7.87 kcal/mol) and M
    MeSH term(s) Angiotensin-Converting Enzyme 2 ; Antiparasitic Agents ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; COVID-19/drug therapy ; Diminazene/analogs & derivatives ; Humans ; Molecular Docking Simulation ; Peptide Hydrolases ; Peptidyl-Dipeptidase A/chemistry ; Protein S ; SARS-CoV-2
    Chemical Substances Antiparasitic Agents ; Antiviral Agents ; Protein S ; Peptide Hydrolases (EC 3.4.-) ; Peptidyl-Dipeptidase A (EC 3.4.15.1) ; Angiotensin-Converting Enzyme 2 (EC 3.4.17.23) ; diminazene aceturate (JI8SAD85NO) ; Diminazene (Y5G36EEA5Z)
    Language English
    Publishing date 2022-09-15
    Publishing country Ireland
    Document type Journal Article
    ZDB-ID 218799-1
    ISSN 1872-7786 ; 0009-2797
    ISSN (online) 1872-7786
    ISSN 0009-2797
    DOI 10.1016/j.cbi.2022.110161
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.A 686: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  6. Article ; Online: Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties.

    Rocha, Jefferson A / Rego, Nayra C S / Carvalho, Bruna T S / Silva, Francisco I / Sousa, Jose A / Ramos, Ricardo M / Passos, Ionara N G / de Moraes, Josué / Leite, Jose R S A / Lima, Francisco C A

    PloS one

    2018  Volume 13, Issue 6, Page(s) e0198476

    Abstract: Schistosomiasis affects million people and its control is widely dependent on a single drug, praziquantel. Computational chemistry has led to the development of new tools that predict molecular properties related to pharmacological potential. We ... ...

    Abstract Schistosomiasis affects million people and its control is widely dependent on a single drug, praziquantel. Computational chemistry has led to the development of new tools that predict molecular properties related to pharmacological potential. We conducted a theoretical study of the imizadole alkaloids of Pilocarpus microphyllus (Rutaceae) with schistosomicidal properties. The molecules of epiisopiloturine, epiisopilosine, isopilosine, pilosine, and macaubine were evaluated using theory models (B3lyp/SDD, B3lyp/6-31+G(d,p), B3lyp/6-311++G(d,p)). Absorption, distribution, metabolization, excretion, and toxicity (ADMET) predictions were used to determine the pharmacokinetic and pharmacodynamic properties of the alkaloids. After optimization, the molecules were submitted to molecular docking calculations with the purine nucleoside phosphorylase, thioredoxin glutathione reductase, methylthioadenosine phosphorylase, arginase, uridine phosphorylase, Cathepsin B1 and histone deacetylase 8 enzymes, which are possible targets of Schistosoma mansoni. The results showed that B3lyp/6-311++G(d,p) was the optimal model to describe the properties studied. Thermodynamic analysis showed that epiisopiloturine and epiisopilosine were the most stable isomers; however, the epiisopilosine ligand achieved a superior interaction with the enzymes studied in the molecular docking experiments, which corroborated the results of previous experimental studies on schistosomiasis.
    MeSH term(s) 4-Butyrolactone/analogs & derivatives ; 4-Butyrolactone/chemistry ; 4-Butyrolactone/pharmacology ; Alkaloids/chemistry ; Alkaloids/pharmacology ; Animals ; Anthelmintics/chemistry ; Anthelmintics/pharmacology ; Imidazoles/chemistry ; Imidazoles/pharmacology ; Models, Molecular ; Molecular Docking Simulation ; Pilocarpus/chemistry ; Plant Extracts/pharmacology ; Quantum Theory ; Schistosoma mansoni/drug effects ; Thermodynamics
    Chemical Substances Alkaloids ; Anthelmintics ; Imidazoles ; Plant Extracts ; epiisopiloturine ; pilosine (H2K491WN88) ; 4-Butyrolactone (OL659KIY4X)
    Language English
    Publishing date 2018-06-26
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2267670-3
    ISSN 1932-6203 ; 1932-6203
    ISSN (online) 1932-6203
    ISSN 1932-6203
    DOI 10.1371/journal.pone.0198476
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  7. Article: Candida

    de Oliveira Santos, Giselle C / Vasconcelos, Cleydlenne C / Lopes, Alberto J O / de Sousa Cartágenes, Maria do S / Filho, Allan K D B / do Nascimento, Flávia R F / Ramos, Ricardo M / Pires, Emygdia R R B / de Andrade, Marcelo S / Rocha, Flaviane M G / de Andrade Monteiro, Cristina

    Frontiers in microbiology

    2018  Volume 9, Page(s) 1351

    Abstract: ... ...

    Abstract The
    Language English
    Publishing date 2018-07-03
    Publishing country Switzerland
    Document type Journal Article ; Review
    ZDB-ID 2587354-4
    ISSN 1664-302X
    ISSN 1664-302X
    DOI 10.3389/fmicb.2018.01351
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  8. Article: Antinociceptive Activity of

    Silva, Rosa H M / Lima, Nathália de Fátima M / Lopes, Alberto J O / Vasconcelos, Cleydlenne C / de Mesquita, José W C / de Mesquita, Ludmilla S S / Lima, Fernando C V M / Ribeiro, Maria N de S / Ramos, Ricardo M / Cartágenes, Maria do Socorro de S / Garcia, João B S

    Frontiers in pharmacology

    2017  Volume 8, Page(s) 283

    Abstract: ... Borreria ... ...

    Abstract Borreria verticillata
    Language English
    Publishing date 2017-05-22
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2587355-6
    ISSN 1663-9812
    ISSN 1663-9812
    DOI 10.3389/fphar.2017.00283
    Database MEDical Literature Analysis and Retrieval System OnLINE

    More links

    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

  9. Article ; Online: Structure-function studies of BPP-BrachyNH

    Arcanjo, Daniel D R / Vasconcelos, Andreanne G / Nascimento, Lucas A / Mafud, Ana Carolina / Plácido, Alexandra / Alves, Michel M M / Delerue-Matos, Cristina / Bemquerer, Marcelo P / Vale, Nuno / Gomes, Paula / Oliveira, Eduardo B / Lima, Francisco C A / Mascarenhas, Yvonne P / Carvalho, Fernando Aécio A / Simonsen, Ulf / Ramos, Ricardo M / Leite, José Roberto S A

    European journal of medicinal chemistry

    2017  Volume 139, Page(s) 401–411

    Abstract: The vasoactive proline-rich oligopeptide termed BPP- ... ...

    Abstract The vasoactive proline-rich oligopeptide termed BPP-BrachyNH
    MeSH term(s) Angiotensin-Converting Enzyme Inhibitors/chemical synthesis ; Angiotensin-Converting Enzyme Inhibitors/chemistry ; Angiotensin-Converting Enzyme Inhibitors/pharmacology ; Animals ; Cell Survival/drug effects ; Dose-Response Relationship, Drug ; Hemolysis ; Macrophages/drug effects ; Male ; Mice ; Mice, Inbred BALB C ; Models, Molecular ; Molecular Structure ; Oligopeptides/chemical synthesis ; Oligopeptides/chemistry ; Oligopeptides/pharmacology ; Peptidyl-Dipeptidase A/metabolism ; Proline/chemistry ; Proline/pharmacology ; Rats ; Rats, Wistar ; Sheep ; Structure-Activity Relationship
    Chemical Substances Angiotensin-Converting Enzyme Inhibitors ; Oligopeptides ; Proline (9DLQ4CIU6V) ; Peptidyl-Dipeptidase A (EC 3.4.15.1)
    Language English
    Publishing date 2017-10-20
    Publishing country France
    Document type Journal Article
    ZDB-ID 188597-2
    ISSN 1768-3254 ; 0009-4374 ; 0223-5234
    ISSN (online) 1768-3254
    ISSN 0009-4374 ; 0223-5234
    DOI 10.1016/j.ejmech.2017.08.019
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

    More links

    Kategorien

    In stock of ZB MED Cologne/Königswinter

    Zs.B 784: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

To top