A new perspective to improve the treatment of Lianhuaqingwen on COVID-19 and prevent the environmental health risk of medication.
Environ Sci Pollut Res Int
; 29(49): 74208-74224, 2022 Oct.
Article
in English
| MEDLINE | ID: covidwho-1872662
ABSTRACT
Lianhuaqingwen (LH), one traditional Chinese medicine (TCM), has been used to treat the coronavirus disease 2019 (COVID-19), but its ecotoxicity with potential human health security has not been well investigated. To overcome such adverse effects and improve its medication efficacy, an intelligent multi-method integrated dietary scheme, screening, and performance evaluation approach was developed. Thirteen LH compounds were selected, and the main protease (Mpro) was used as the potential drug target. Resulted information showed that the more compounds of LH added, the higher medication efficacy obtained using multi-method integrated screening system, expert consultation method, and molecular dynamics simulation. Pharmacodynamic mechanism analysis showed that low total energy and polar surface area of LH active compound (i.e., ß-sitosterol) will contribute to the best therapeutic effect on COVID-19 using quantitative structure-activity relationships (QSAR) and sensitivity models. Additionally, when mild COVID-19 patients take LH with the optimum dietary scheme (i.e., ß-lactoglobulin, α-lactalbumin, vitamin A, vitamin B, vitamin C, carotene, and vitamin E), the medication efficacy were significantly improved (23.58%). Pharmacokinetics and toxicokinetics results showed that LH had certain human health risks and ecotoxicity. This study revealed the multi-compound interaction mechanism of LH treatment on COVID-19, and provided theoretical guidance for improving therapeutic effect, evaluating TCM safety, and preventing human health risk.
Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Drugs, Chinese Herbal
/
COVID-19
Type of study:
Diagnostic study
/
Experimental Studies
/
Prognostic study
Topics:
Traditional medicine
Limits:
Humans
Language:
English
Journal:
Environ Sci Pollut Res Int
Journal subject:
Environmental Health
/
Toxicology
Year:
2022
Document Type:
Article
Affiliation country:
S11356-022-21125-w
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