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Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology

The majority of the bioactives under investigation were predicted to target TNF receptor-associated factor 5 in the Janus kinase/signal transducers and activators of the transcription pathway. Similarly, druglikeness prediction identified vitexilactone to possess the highest druglikeness score, i.e....

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Autores principales: Khanal, Pukar, Duyu, Taaza, Patil, B. M., Dey, Yadu Nandan, Pasha, Ismail, Kavalapure, Rohini S., Chand, Sharad, Gurav, Shailendra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869079/
https://www.ncbi.nlm.nih.gov/pubmed/33585152
http://dx.doi.org/10.1007/s13205-021-02664-4
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author Khanal, Pukar
Duyu, Taaza
Patil, B. M.
Dey, Yadu Nandan
Pasha, Ismail
Kavalapure, Rohini S.
Chand, Sharad
Gurav, Shailendra
author_facet Khanal, Pukar
Duyu, Taaza
Patil, B. M.
Dey, Yadu Nandan
Pasha, Ismail
Kavalapure, Rohini S.
Chand, Sharad
Gurav, Shailendra
author_sort Khanal, Pukar
collection PubMed
description The majority of the bioactives under investigation were predicted to target TNF receptor-associated factor 5 in the Janus kinase/signal transducers and activators of the transcription pathway. Similarly, druglikeness prediction identified vitexilactone to possess the highest druglikeness score, i.e., 0.88. Furthermore, proteins targeted in the Janus kinase/signal transducers and activators of transcription pathway were also predicted to regulate multiple pathways, i.e., ErbB, AGE-RAGE, NF-kappa B, Measles, insulin, mTOR, chemokine, Ras, and pathways associated with infectious and non-infectious pathogenesis, where the immune system is compromised. Similarly, the docking study identified sesaminol 2-O-β-D-gentiobioside to possess the highest binding affinity with 3CL(pro), PL(pro), and spike proteins. Furthermore, phylogeny comparison identified the common protein domains with other stains of microbes like murine hepatitis virus strain A59, avian infectious bronchitis virus, and porcine epidemic diarrhea virus CV777.
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spelling pubmed-78690792021-02-09 Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology Khanal, Pukar Duyu, Taaza Patil, B. M. Dey, Yadu Nandan Pasha, Ismail Kavalapure, Rohini S. Chand, Sharad Gurav, Shailendra 3 Biotech Original Article The majority of the bioactives under investigation were predicted to target TNF receptor-associated factor 5 in the Janus kinase/signal transducers and activators of the transcription pathway. Similarly, druglikeness prediction identified vitexilactone to possess the highest druglikeness score, i.e., 0.88. Furthermore, proteins targeted in the Janus kinase/signal transducers and activators of transcription pathway were also predicted to regulate multiple pathways, i.e., ErbB, AGE-RAGE, NF-kappa B, Measles, insulin, mTOR, chemokine, Ras, and pathways associated with infectious and non-infectious pathogenesis, where the immune system is compromised. Similarly, the docking study identified sesaminol 2-O-β-D-gentiobioside to possess the highest binding affinity with 3CL(pro), PL(pro), and spike proteins. Furthermore, phylogeny comparison identified the common protein domains with other stains of microbes like murine hepatitis virus strain A59, avian infectious bronchitis virus, and porcine epidemic diarrhea virus CV777. Springer International Publishing 2021-02-08 2021-03 /pmc/articles/PMC7869079/ /pubmed/33585152 http://dx.doi.org/10.1007/s13205-021-02664-4 Text en © King Abdulaziz City for Science and Technology 2021
spellingShingle Original Article
Khanal, Pukar
Duyu, Taaza
Patil, B. M.
Dey, Yadu Nandan
Pasha, Ismail
Kavalapure, Rohini S.
Chand, Sharad
Gurav, Shailendra
Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title_full Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title_fullStr Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title_full_unstemmed Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title_short Screening of JAK-STAT modulators from the antiviral plants of Indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
title_sort screening of jak-stat modulators from the antiviral plants of indian traditional system of medicine with the potential to inhibit 2019 novel coronavirus using network pharmacology
topic Original Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869079/
https://www.ncbi.nlm.nih.gov/pubmed/33585152
http://dx.doi.org/10.1007/s13205-021-02664-4
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