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2,4-Dihydroxycinnamic acid as spike ACE2 inhibitor and apigenin as RdRp inhibitor in Nimbamritadi Panchatiktam Kashayam against COVID-19: an in silico and in vitro approach. | LitMetric

AI Article Synopsis

  • Nimbamritadi Panchatiktam Kashayam (NPK) is an Ayurvedic formulation with strong anti-viral properties, studied for its effectiveness against SARS CoV2.
  • The research identified key phytoconstituents, such as 2,4-hydroxycinnamic acid and Apigenin, that showed higher binding affinities to viral proteins compared to conventional antiviral drugs like Umifenovir and Remdesivir.
  • In vitro tests demonstrated that NPK compounds reduced viral particles without causing toxicity to normal cells, suggesting potential for clinical use in treating COVID-19.

Article Abstract

Nimbamritadi Panchatiktam Kashayam (NPK) is an ayurvedic formulation composed of ingredients with potent anti-viral activities. We studied the interaction energy of 144 phytoconstituents present in NPK against spike receptor-binding domain (RBD) complexed with ACE2 protein (PDB ID: 6LZG) and RNA-dependent RNA polymerase protein (PDB ID: 7BTF) using Biovia Drug Discovery studio. The result indicated that 2,4-hydroxycinnamic acid exerts more significant binding affinities (28.43 kcal/mol) than Umifenovir (21.24 kcal/mol) against spike ACE2. Apigenin exhibited the highest binding affinities (54.63 kcal/mol) compared with Remdesivir (24.52 kcal/mol) against RdRp. An in vitro analysis showed a reduction in the number of lentiviral particles on transfected HEK293T-hACE2 cells as assessed by pseudovirus inhibition assay. At the same time, the tested compounds showed non-toxic up to 100 µg/ml in normal cells by MTT assay. The study highlights the plausible clinical utility of this traditional medicine against SARS CoV2.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9648999PMC
http://dx.doi.org/10.1007/s11030-022-10552-zDOI Listing

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