About: In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus

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An Entity of Type : schema:ScholarlyArticle, within Data Space : wasabi.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus
Creator	Zhang, Xue Deng, Sheng-Qiong Dh, Zhang Kl, Wu Peng, Bin Sq, Deng Wu, Kun-Lun Zhang, Deng-Hai
Source	Elsevier; Medline; PMC
abstract	Abstract Objective In this study we execute a rational screen to identify Chinese medical herbs that are commonly used in treating viral respiratory infections and also contain compounds that might directly inhibit 2019 novel coronavirus (2019-nCoV), an ongoing novel coronavirus that causes pneumonia. Methods There were two main steps in the screening process. In the first step we conducted a literature search for natural compounds that had been biologically confirmed as against sever acute respiratory syndrome coronavirus or Middle East respiratory syndrome coronavirus. Resulting compounds were cross-checked for listing in the Traditional Chinese Medicine Systems Pharmacology Database. Compounds meeting both requirements were subjected to absorption, distribution, metabolism and excretion (ADME) evaluation to verify that oral administration would be effective. Next, a docking analysis was used to test whether the compound had the potential for direct 2019-nCoV protein interaction. In the second step we searched Chinese herbal databases to identify plants containing the selected compounds. Plants containing 2 or more of the compounds identified in our screen were then checked against the catalogue for classic herbal usage. Finally, network pharmacology analysis was used to predict the general in vivo effects of each selected herb. Results Of the natural compounds screened, 13 that exist in traditional Chinese medicines were also found to have potential anti-2019-nCoV activity. Further, 125 Chinese herbs were found to contain 2 or more of these 13 compounds. Of these 125 herbs, 26 are classically catalogued as treating viral respiratory infections. Network pharmacology analysis predicted that the general in vivo roles of these 26 herbal plants were related to regulating viral infection, immune/inflammation reactions and hypoxia response. Conclusion Chinese herbal treatments classically used for treating viral respiratory infection might contain direct anti-2019-nCoV compounds.
has issue date	2020-03-31(xsd:dateTime)
bibo:doi	10.1016/j.joim.2020.02.005
bibo:pmid	32113846
has license	els-covid
sha1sum (hex)	d3fb8500862db1ce9cc299443a6d31209fab5602
schema:url	https://doi.org/10.1016/j.joim.2020.02.005
resource representing a document's title	In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus
has PubMed Central identifier	PMC7102521
has PubMed identifier	32113846
schema:publication	Journal of Integrative Medicine
resource representing a document's body	covid:d3fb8500862db1ce9cc299443a6d31209fab5602#body_text
is schema:about of	named entity 'RESPIRATORY INFECTIONS' named entity 'STEP' named entity 'CHINESE HERBS' named entity 'LISTING' named entity 'BIOLOGICALLY' named entity 'TRADITIONAL' named entity 'CLASSIC' named entity 'DIRECT' named entity 'ABSORPTION' named entity 'POTENTIAL' named entity 'CHINESE MEDICINES' named entity 'TREATING' named entity 'RESULTS' named entity 'ACTIVITY' named entity 'TO TEST' named entity '125' named entity 'GENERAL' named entity 'ANALYSIS' named entity 'VIRAL RESPIRATORY INFECTION' named entity 'METHODS' named entity 'CONTAINING' named entity 'TO IDENTIFY' named entity 'RESPONSE' named entity 'CONTAIN' named entity 'CONCLUSION' named entity 'IMMUNE' named entity 'CAUSES' named entity 'FOUND' named entity 'HAVE' named entity 'ORAL ADMINISTRATION' named entity 'PREDICT' named entity 'OF EACH' named entity 'THESE' named entity 'RESULTING' named entity 'REGULATING' named entity 'EXCRETION' named entity 'literature' named entity 'coronavirus' named entity 'predict' named entity 'treating' named entity 'reactions' named entity 'inflammation' named entity 'Pharmacology' named entity 'respiratory infections' named entity 'screen' named entity 'general' named entity 'natural' named entity 'protein' named entity 'sever' named entity 'Middle East respiratory syndrome' named entity 'screening' named entity 'DISTRIBUTION' named entity 'VIRAL INFECTION' named entity 'SECOND' named entity 'STEPS' named entity 'RESPIRATORY' named entity 'CROSS' named entity 'NATURAL' named entity 'LITERATURE SEARCH' named entity 'EVALUATION' named entity 'COMPOUND' named entity 'OUR' named entity 'SCREEN' named entity 'CONFIRMED' named entity 'CHINESE HERBAL MEDICINES' named entity '2019 NOVEL CORONAVIRUS' named entity 'POTENTIAL' named entity 'DIRECTLY' named entity 'IN SILICO SCREENING' named entity 'OBJECTIVE' named entity 'SEARCHED' named entity 'FIRST STEP' named entity 'PROTEIN INTERACTION' named entity 'SEVER'

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