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  1. Article ; Online: Convergent QSAR Models for the Prediction of Cruzain Inhibitors.

    Gonçalves, Rafael Bello / Ferraz, Witor Ribeiro / Calil, Raisa Ludmila / Scotti, Marcus Tullius / Trossini, Gustavo Henrique Goulart

    ACS omega

    2023  Volume 8, Issue 42, Page(s) 38961–38982

    Abstract: Chagas disease is a parasitosis caused ... ...

    Abstract Chagas disease is a parasitosis caused by
    Language English
    Publishing date 2023-10-13
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c03376
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Molecular targets for Chagas disease: validation, challenges and lead compounds for widely exploited targets.

    Laureano de Souza, Mariana / Lapierre, Thibault Joseph William Jacques Dit / Vitor de Lima Marques, Gabriel / Ferraz, Witor Ribeiro / Penteado, André Berndt / Henrique Goulart Trossini, Gustavo / Murta, Silvane Maria Fonseca / de Oliveira, Renata Barbosa / de Oliveira Rezende, Celso / Ferreira, Rafaela Salgado

    Expert opinion on therapeutic targets

    2023  Volume 27, Issue 10, Page(s) 911–925

    Abstract: Introduction: Chagas disease (CD) imposes social and economic burdens, yet the available treatments have limited efficacy in the disease's chronic phase and cause serious adverse effects. To address this challenge, target-based approaches are a possible ...

    Abstract Introduction: Chagas disease (CD) imposes social and economic burdens, yet the available treatments have limited efficacy in the disease's chronic phase and cause serious adverse effects. To address this challenge, target-based approaches are a possible strategy to develop new, safe, and active treatments for both phases of the disease.
    Areas covered: This review delves into target-based approaches applied to CD drug discovery, emphasizing the studies from the last five years. We highlight the proteins cruzain (CZ), trypanothione reductase (TR), sterol 14 α-demethylase (CPY51), iron superoxide dismutase (Fe-SOD), proteasome, cytochrome
    Expert opinion: Target-based approaches toward developing potential CD therapeutics have yielded promising leads in recent years. We expect a significant advance in this field in the next decade, fueled by the new options for
    MeSH term(s) Humans ; Chagas Disease/drug therapy ; Trypanosoma cruzi/genetics ; Drug Discovery
    Language English
    Publishing date 2023-10-30
    Publishing country England
    Document type Journal Article ; Review ; Research Support, Non-U.S. Gov't
    ZDB-ID 2055208-7
    ISSN 1744-7631 ; 1472-8222
    ISSN (online) 1744-7631
    ISSN 1472-8222
    DOI 10.1080/14728222.2023.2264512
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an

    Ferraz, Witor Ribeiro / Gomes, Renan Augusto / S Novaes, Andre Luis / Goulart Trossini, Gustavo Henrique

    Future medicinal chemistry

    2020  Volume 12, Issue 20, Page(s) 1815–1828

    Abstract: Aim: ...

    Abstract Aim:
    MeSH term(s) Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Betacoronavirus/drug effects ; Betacoronavirus/enzymology ; COVID-19 ; Coronavirus 3C Proteases ; Coronavirus Infections/drug therapy ; Coronavirus Infections/virology ; Cysteine Endopeptidases/metabolism ; Diarylquinolines/chemistry ; Diarylquinolines/pharmacology ; Drug Design ; Drug Discovery ; Glyburide/chemistry ; Glyburide/pharmacology ; Humans ; Ligands ; Miconazole/chemistry ; Miconazole/pharmacology ; Models, Molecular ; Molecular Docking Simulation ; Pandemics ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/virology ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; SARS-CoV-2 ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/metabolism
    Chemical Substances Antiviral Agents ; Diarylquinolines ; Ligands ; Protease Inhibitors ; Viral Nonstructural Proteins ; bedaquiline (78846I289Y) ; Miconazole (7NNO0D7S5M) ; Cysteine Endopeptidases (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28) ; Glyburide (SX6K58TVWC)
    Keywords covid19
    Language English
    Publishing date 2020-08-13
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1756-8927
    ISSN (online) 1756-8927
    DOI 10.4155/fmc-2020-0165
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study

    Ferraz, Witor Ribeiro / Gomes, Renan Augusto / S Novaes, Andre Luis / Goulart Trossini, Gustavo Henrique

    Future Med Chem

    Abstract: Aim: The identification of drugs for the coronavirus disease-19 pandemic remains urgent. In this manner, drug repurposing is a suitable strategy, saving resources and time normally spent during regular drug discovery frameworks. Essential for viral ... ...

    Abstract Aim: The identification of drugs for the coronavirus disease-19 pandemic remains urgent. In this manner, drug repurposing is a suitable strategy, saving resources and time normally spent during regular drug discovery frameworks. Essential for viral replication, the main protease has been explored as a promising target for the drug discovery process. Materials & methods: Our virtual screening pipeline relies on the known 3D properties of noncovalent ligands and features of crystalized complexes, applying consensus analyses in each step. Results: Two oral (bedaquiline and glibenclamide) and one buccal drug (miconazole) presented 3D similarity to known ligands, reasonable predicted binding modes and micromolar predicted binding affinity values. Conclusion: We identified three approved drugs as promising inhibitors of the main viral protease and suggested design insights for future studies for development of novel selective inhibitors.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #713324
    Database COVID19

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  5. Article: Three-component reaction for the synthesis of diverse β-unsaturated α-amino esters

    Stefani, Hélio A / Ariane C.S. Sousa / Flávia Manarin / Frederico B. Souza / Witor Ribeiro Ferraz

    Tetrahedron. 2014 May 20, v. 70

    2014  

    Abstract: We describe an efficient multicomponent reaction for the preparation of β-unsaturated α-amino esters by ytterbium triflate catalyzed reaction of potassium organotrifluoroborate salts, aniline and ethyl glyoxalate. The synthetic viability of this ... ...

    Abstract We describe an efficient multicomponent reaction for the preparation of β-unsaturated α-amino esters by ytterbium triflate catalyzed reaction of potassium organotrifluoroborate salts, aniline and ethyl glyoxalate. The synthetic viability of this protocol was demonstrated by moderate to high yields, short reaction time ranging from 0.5 to 12 h, and efficiency with respect to substrate scope.
    Keywords aniline ; chemical reactions ; chemical structure ; esters ; salts
    Language English
    Dates of publication 2014-0520
    Size p. 3243-3248.
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 204285-x
    ISSN 1464-5416 ; 0040-4020 ; 0563-2064
    ISSN (online) 1464-5416
    ISSN 0040-4020 ; 0563-2064
    DOI 10.1016/j.tet.2013.11.107
    Database NAL-Catalogue (AGRICOLA)

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