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Phytochemical rich Himalayan Rhododendron arboreum petals inhibit SARS-CoV-2 infection in vitro.
Lingwan, Maneesh; Shagun, Shagun; Pahwa, Falak; Kumar, Ankit; Verma, Dileep Kumar; Pant, Yogesh; Kamatam, Lingarao V K; Kumari, Bandna; Nanda, Ranjan Kumar; Sunil, Sujatha; Masakapalli, Shyam Kumar.
Afiliación
  • Lingwan M; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
  • Shagun S; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
  • Pahwa F; Translational Health Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, India.
  • Kumar A; Vector Borne Disease Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, India.
  • Verma DK; Vector Borne Disease Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, India.
  • Pant Y; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
  • Kamatam LVK; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
  • Kumari B; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
  • Nanda RK; Translational Health Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, India.
  • Sunil S; Vector Borne Disease Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, India.
  • Masakapalli SK; BioX Centre, School of Basic Sciences, Indian Institute of Technology Mandi, Kamand, Himachal Pradesh, India.
J Biomol Struct Dyn ; 41(4): 1403-1413, 2023 03.
Article en En | MEDLINE | ID: mdl-34961411
Phytochemicals with potential to competitively bind to the host receptors or inhibit SARS-CoV-2 replication, may prove to be useful as adjunct therapeutics for COVID-19. We profiled and investigated the phytochemicals of Rhododendron arboreum petals sourced from Himalayan flora, undertook in vitro studies and found it as a promising candidate against SARS-CoV-2. The phytochemicals were reported in various scientific investigations to act against a range of virus in vitro and in vivo, which prompted us to test against SARS-CoV-2. In vitro assays of R. arboreum petals hot aqueous extract confirmed dose dependent reduction in SARS-CoV-2 viral load in infected Vero E6 cells (80% inhibition at 1 mg/ml; IC50 = 173 µg/ml) and phytochemicals profiled were subjected to molecular docking studies against SARS CoV-2 target proteins. The molecules 5-O-Feruloyl-quinic acid, 3-Caffeoyl-quinic acid, 5-O-Coumaroyl-D-quinic acid, Epicatechin and Catechin showed promising binding affinity with SARS-CoV-2 Main protease (MPro; PDB ID: 6LU7; responsible for viral replication) and Human Angiotensin Converting Enzyme-2 (ACE2; PDB ID: 1R4L; mediate viral entry in the host). Molecular dynamics (MD) simulation of 5-O-Feruloyl-quinic acid, an abundant molecule in the extract complexed with the target proteins showed stable interactions. Taken together, the phytochemical profiling, in silico analysis and in vitro anti-viral assay revealed that the petals extract act upon MPro and may be inhibiting SARS-CoV-2 replication. This is the first report highlighting R. arboreum petals as a reservoir of antiviral phytochemicals with potential anti-SARS-CoV-2 activity using an in vitro system.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Rhododendron / COVID-19 Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Rhododendron / COVID-19 Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido