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Computational screening of potential drugs against COVID-19 disease: the Neuropilin-1 receptor as molecular target.
Charoute, Hicham; Elkarhat, Zouhair; Elkhattabi, Lamiae; El Fahime, Elmostafa; Oukkache, Naoual; Rouba, Hassan; Barakat, Abdelhamid.
Afiliación
  • Charoute H; Research Unit of Epidemiology, Biostatistics and Bioinformatics, 1, Place Louis Pasteur, Institut Pasteur du Maroc, 20360 Casablanca, Morocco.
  • Elkarhat Z; Laboratory of Genomics and Human Genetics, Institut Pasteur du Maroc, Casablanca, Morocco.
  • Elkhattabi L; Laboratory of Genomics and Human Genetics, Institut Pasteur du Maroc, Casablanca, Morocco.
  • El Fahime E; Laboratory of Genomics and Human Genetics, Institut Pasteur du Maroc, Casablanca, Morocco.
  • Oukkache N; Molecular Biology and Functional Genomics Platform, National Center for Scientific and Technical Research, Rabat, Morocco.
  • Rouba H; Laboratory of Venoms and Toxins, Institut Pasteur du Maroc, Casablanca, Morocco.
  • Barakat A; Laboratory of Genomics and Human Genetics, Institut Pasteur du Maroc, Casablanca, Morocco.
Virusdisease ; 33(1): 23-31, 2022 Mar.
Article en En | MEDLINE | ID: mdl-35079600
The transmembrane receptor Neuropilin-1 (NRP-1) was reported to serve as a host cell entry factor for the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causal agent of COVID-19 disease. Therefore, molecular compounds interfering with SARS-CoV-2 binding to NRP-1 seem to be potential candidates as new antiviral drugs. In this study, NRP-1 receptor was targeted using a library of 1167 compounds previously analyzed in COVID-19 related studies. The results show the effectiveness of Nafamostat, Y96, Selinexor, Ebastine and UGS, in binding to NRP-1 receptor, with docking scores lower than - 8.2 kcal/mol. These molecules interact with NRP-1 receptor key residues, which makes them promising drugs to pursue further biological assays to explore their potential use in the treatment of COVID-19. Supplementary Information: The online version contains supplementary material available at 10.1007/s13337-021-00751-x.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: Virusdisease Año: 2022 Tipo del documento: Article País de afiliación: Marruecos Pais de publicación: India
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: Virusdisease Año: 2022 Tipo del documento: Article País de afiliación: Marruecos Pais de publicación: India