Aim: In view of the strong immunomodulatory and antiviral activity of andrographolide and its derivative, the present study aimed to investigate the binding a nities of andrographolide and its derivative 14deoxy-11,12-didehydroandrographolide with 3 major targets of COVID-19 i.e. 3CLpro, PLpro and spike protein followed by their gene-set enrichment analysis with special reference to immune modulation. Materials and methods: SMILES of the compounds were retrieved from DigepPred database and the proteins identi ed were queried in STRING to evaluate the protein-protein interaction and modulated pathways were identi ed concerning the KEGG database. Drug-likeness and ADMET pro les were evaluated using MolSoft and admet SAR 2.0, respectively. Molecular docking was carried using autodock 4.0. Results: Andrographolide and 14-Deoxy-11,12-didehydroandrographolide were predicted to have a high binding a nity with papain-like protease i.e.-6.7 kcal/mol and-6.5 kcal/mol, respectively while they interact with equal binding energies with 3clpro (-6.8 kcal/mol) and spike protein (-6.9 kcal/mol). Network pharmacology analysis revealed that both compounds modulated the immune system through the regulation of chemokine signaling pathway, Rap1 signaling pathway, Cytokine-cytokine receptor interaction, MAPK signaling pathway, NF-kappa B signaling pathway, Rassignaling pathway, p53 signaling pathway, HIF-1 signaling pathway, and Natural killer cell-mediated cytotoxicity. Although the 14deoxy-11,12-didehydroandrographolide scored higher drug-likeness character, it showed less potency to interaction with targeted proteins of COVID-19. Conclusion: The study suggests the strong interaction of the andrographolide and its derivative 14-deoxy-11,12-didehydroandrographolide against target proteins associated with COVID-19. Further, network pharmacology analysis elucidated the different pathways of immunomodulation. However, clinical research should be conducted to con rm the current ndings.
The present study aimed to investigate the binding affinity of andrographolide and its derivative i.e. 14-deoxy-11,12-didehydroandrographolide with targets related to COVID-19 and their probable role in regulating multiple pathways in COVID-19 infection.
Background
Ayurveda is primarily based upon use of herbs either singly or in combination (polyherbal). The cow ghee (clarified butterfat) is considered as a precious base for preparing medicines in Ayurveda. Processing of ghee with plant ingredients is renowned for enhancing their therapeutic efficacy.
Objective
In present research work, the attempt was made to develop cow ghee based Polyherbal
Bhallatakadi Ghrita
formulations and evaluate them with reference to ‘
Murcchana
’ and ‘
Shata-Dhauta
’ process.
Materials and methods
The research plants were identified, procured, authenticated and processed. The extracts of plant materials were prepared and used for development of Polyherbal
Bhallatakadi Ghrita
(PHBG), Polyherbal
Bhallatakadi Murcchita Ghrita
and Polyherbal
Bhallatakadi Shata-Dhauta Ghrita
formulations as per Ayurvedic procedures. The prepared
ghrita
formulations were subjected to organoleptic (colour, odour, taste, appearance and touch), physicochemical (pH, viscosity, moisture content, specific gravity, refractive index, acid value, saponification value, iodine value, peroxide value, Rechert Meissl value and Polenske value) evaluation, in-vitro antioxidant and GC-MS analysis. The accelerated and real time stability studies were carried out to determine shelf life of
ghrita
formulations.
Results
The results of evaluations indicate that, developed PHBG formulations retained the organoleptic and physicochemical characteristics of ghee. The shelf life of formulations was found to be in the range of 1.6 to 3.3 years at accelerated and 2.2 to 3.8 years at real time stability conditions. All
ghrita
formulations exhibited antioxidant activity in dose dependent manner.
Conclusion
The standardization or evaluation of Polyherbal
Bhallatakadi Ghrita
formulations was found to be crucial for the establishment of a steady biological, chemical or simply a quality assurance profile of the drugs.
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