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  1. AU="Ferreira, Vivian Neuza Dos Santos"
  2. AU="Liu, Qingzhu"
  3. AU=Cherian Iype
  4. AU="Mohelsky, Romy"
  5. AU="Koop, J Orjuela"
  6. AU="Pakhomova, O. A"
  7. AU="Teich, René"
  8. AU=Zotzmann Viviane
  9. AU="Chen, Xiaoxiang"
  10. AU=Halperin Jonathan L
  11. AU="Soderquist, Ryan S"
  12. AU=Coppola Giangennaro
  13. AU="Ping, Xiaofang"
  14. AU="Suzuki, Kana"
  15. AU="Hackett, Fiona"
  16. AU="Berhe, T."
  17. AU="Rajesh, K S"
  18. AU=Nichols Kenneth J
  19. AU="Annarita, Santoro"
  20. AU="Fluerant, Marshall"
  21. AU="Di Marino, Luca"
  22. AU="Lu, Zonghong"
  23. AU="Saz-Leal, Paula"
  24. AU="Caillier, Stacy J"
  25. AU="Curran, Kathryn G"
  26. AU=Wu Jun
  27. AU="Singhal, Jyotsana"
  28. AU="Fossa, Paola"
  29. AU="Hu, Chung-Chi"
  30. AU="Azad, Rashid"
  31. AU="Bumcrot, David"
  32. AU="Jun, Yu Kyung"
  33. AU="Ganapathy, Kalaiselvan"
  34. AU=Laue Thomas
  35. AU="Yanlan Wang"

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  1. Artikel: Myrtucommulones and Related Acylphloroglucinols from Myrtaceae as a Promising Source of Multitarget SARS-CoV-2 Cycle Inhibitors.

    Mendonça, Simony Carvalho / Gomes, Brendo Araujo / Campos, Mariana Freire / da Fonseca, Thamirys Silva / Esteves, Maria Eduarda Alves / Andriolo, Bruce Veiga / Cheohen, Caio Felipe de Araujo Ribas / Constant, Larissa Esteves Carvalho / da Silva Costa, Stephany / Calil, Pedro Telles / Tucci, Amanda Resende / Oliveira, Thamara Kelcya Fonseca de / Rosa, Alice Dos Santos / Ferreira, Vivian Neuza Dos Santos / Lima, Julia Nilo Henrique / Miranda, Milene Dias / da Costa, Luciana Jesus / da Silva, Manuela Leal / Scotti, Marcus Tullius /
    Allonso, Diego / Leitão, Gilda Guimarães / Leitão, Suzana Guimarães

    Pharmaceuticals (Basel, Switzerland)

    2024  Band 17, Heft 4

    Abstract: The LABEXTRACT plant extract bank, featuring diverse members of the Myrtaceae family from Brazilian hot spot regions, provides a promising avenue for bioprospection. Given the pivotal roles of the Spike protein and ... ...

    Abstract The LABEXTRACT plant extract bank, featuring diverse members of the Myrtaceae family from Brazilian hot spot regions, provides a promising avenue for bioprospection. Given the pivotal roles of the Spike protein and 3CL
    Sprache Englisch
    Erscheinungsdatum 2024-03-28
    Erscheinungsland Switzerland
    Dokumenttyp Journal Article
    ZDB-ID 2193542-7
    ISSN 1424-8247
    ISSN 1424-8247
    DOI 10.3390/ph17040436
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Artikel ; Online: AI-Driven Discovery of SARS-CoV-2 Main Protease Fragment-like Inhibitors with Antiviral Activity

    Saramago, Luiz Carlos / Santana, Marcos V / Gomes, Bárbara Figueira / Dantas, Rafael Ferreira / Senger, Mario R / Oliveira Borges, Pedro Henrique / Ferreira, Vivian Neuza Dos Santos / Dos Santos Rosa, Alice / Tucci, Amanda Resende / Dias Miranda, Milene / Lukacik, Petra / Strain-Damerell, Claire / Owen, C David / Walsh, Martin Austin / Ferreira, Sabrina Baptista / Silva-Junior, Floriano Paes

    Journal of chemical information and modeling

    2023  Band 63, Heft 9, Seite(n) 2866–2880

    Abstract: SARS-CoV-2 is the causative agent of COVID-19 and is responsible for the current global pandemic. The viral genome contains 5 major open reading frames of which the largest ORF1ab codes for two polyproteins, pp1ab and pp1a, which are subsequently cleaved ...

    Abstract SARS-CoV-2 is the causative agent of COVID-19 and is responsible for the current global pandemic. The viral genome contains 5 major open reading frames of which the largest ORF1ab codes for two polyproteins, pp1ab and pp1a, which are subsequently cleaved into 16 nonstructural proteins (nsp) by two viral cysteine proteases encoded within the polyproteins. The main protease (Mpro, nsp5) cleaves the majority of the nsp's, making it essential for viral replication and has been successfully targeted for the development of antivirals. The first oral Mpro inhibitor, nirmatrelvir, was approved for treatment of COVID-19 in late December 2021 in combination with ritonavir as Paxlovid. Increasing the arsenal of antivirals and development of protease inhibitors and other antivirals with a varied mode of action remains a priority to reduce the likelihood for resistance emerging. Here, we report results from an artificial intelligence-driven approach followed by
    Mesh-Begriff(e) Humans ; Antiviral Agents/pharmacology ; Antiviral Agents/chemistry ; COVID-19 ; SARS-CoV-2 ; Artificial Intelligence ; Protease Inhibitors/pharmacology ; Protease Inhibitors/chemistry ; Molecular Docking Simulation
    Chemische Substanzen Antiviral Agents ; nirmatrelvir and ritonavir drug combination ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Protease Inhibitors
    Sprache Englisch
    Erscheinungsdatum 2023-04-14
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 190019-5
    ISSN 1549-960X ; 0095-2338
    ISSN (online) 1549-960X
    ISSN 0095-2338
    DOI 10.1021/acs.jcim.3c00409
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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