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P-glycoprotein Mediated Enhanced Bioavailability of Novel Corona Virus Drugs through Immunomodulatory Herbs – In silico approach
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| Author:
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CHANDANA ROY, PRATITI GHOSH
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| Abstract:
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Background: The novel corona virus (nCoV) pandemic creating corona virus disease (COVID), is combated by viral drug repurposing along with herbal support. These antivirals are known substrates of the p-glycoprotein, an efflux transporter which normally curtails bioavailability of xenobiotics and medicinal drugs, is overexpressed in viral diseases.
Objective: The study thus aims to categorize the supporting immunomodulatory herbal components into substrates and inhibitors of p-glycoprotein and to compare the binding affinity of the inhibitors with the receptor thus analyzing possibility of retention of co-administered nCoV medications inside the target cells.
Materials and Methods: Druggability and pharmacokinetic properties of the herbal components as ligands were assessed against p-glycoprotein receptor (6C0V) using molecular docking with Patchdock.
Result: The immunomodulatory herbs, viz., T. cordifolia, C. wightii, C. longa, W. somnifera and A. heterophyllum have numerous inhibitors against p-glycoprotein, with magnoflorine bearing the maximum binding potency.
Conclusion: Most components of the said herbs are natural inhibitors of p-glycoprotein and thus if used in conjunction with nCoV drugs, are expected to increase bioavailability of the allopathic drugs in the target cell. The lead compounds maybe considered for in vivo experiments and clinical trials.
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| Keyword:
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Docking, herbs, inhibitor, novel corona virus, p-glycoprotein.
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| EOI:
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| DOI:
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https://doi.org/10.31838/ijpr/2021.13.01.643
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| Download:
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