In silico docking analysis revealed the potential of phytochemicals present in Phyllanthus amarus and Andrographis paniculata, used in Ayurveda medicine in inhibiting SARS-CoV-2
| Autor: | C. N. Lakshminarayana Reddy, K. S. Shankarappa, C. R. Jahir Basha, Venkataravanappa Venkataravanappa, Shridhar Hiremath, M. Mantesh, M. Nandan, H. D. Vinay Kumar |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
0301 basic medicine
030103 biophysics biology Traditional medicine Geraniin Environmental Science (miscellaneous) medicine.disease_cause biology.organism_classification Agricultural and Biological Sciences (miscellaneous) 03 medical and health sciences chemistry.chemical_compound 030104 developmental biology chemistry Docking (molecular) medicine Astragalin Quercetin Kaempferol Corilagin Andrographis paniculata Coronavirus Biotechnology |
| Zdroj: | 3 Biotech |
| ISSN: | 2190-5738 2190-572X |
| DOI: | 10.1007/s13205-020-02578-7 |
| Popis: | The Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has resulted in outbreak of global pandemic, fatal pneumonia in human referred as Coronavirus Disease-2019 (Covid-19). Ayurveda, the age old practice of treating human ailments in India, can be considered against SARS-CoV-2. Attempt was made to provide preliminary evidences for interaction of 35 phytochemicals from two plants (Phyllanthus amarus and Andrographis paniculata used in Ayurveda) with SARS-CoV-2 proteins (open & closed state S protein, 3CLpro, PLpro and RdRp) through in silico docking analysis. The nucleotide analogue remdesivir, being used in treatment of SARS-CoV-2, was used as a positive control. The results revealed that 18 phytochemicals from P. amarus and 14 phytochemicals from A. paniculata shown binding energy affinity/dock score |
| Databáze: | OpenAIRE |
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