Identifying potential treatments of COVID-19 from Traditional Chinese Medicine (TCM) by using a data-driven approach

Abstract

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Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors

“…Currently, scientific community are largely focused in the screening of – (i) FDA-approved drug databases, (ii) clinical trials molecules and/or (iii) previously reported coronavirus inhibitors 9 . In silico virtual screening (VS) techniques are proficient to explore CoV protease inhibitors 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 . Yu and co-workers 40 reported the computational screening and findings with regard to potential binding luteolin and other natural compounds against Mpro.…”

“…Vast amount of in silico VS studies against SARS-CoV-2 Mpro has been reported over past months 26-30, 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 . As the detailed description on the molecular modeling studies is out of Scope for this current communication, readers interested in learning more about recent molecular modeling studies to identify probable CoV protease inhibitors are directed to mentioned references 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72...…”

Exploring the potential therapeutic effect of traditional Chinese medicine on coronavirus disease 2019 (COVID-19) through a combination of data mining and network pharmacology analysis

“…The results of frequency analysis and association rule analysis indicated that Gancao was the key medicine of these formulae for the epidemic disease treatment, which was consistent with the previous data mining study [12] . In TCM practice, Gancao is described as “National Venerable Master” and is usually used in the combination with other CMMs in many formulae to harmonize the properties of other herbs, alleviate their toxicity and modulate the taste of the formulae due to its sweet flavor [13] , which can support the high frequency of Gancao in these formulae.…”

“…The Huangqin extract can also inhibit the replication of the influenza virus in mice [44] . Various compounds in Gancao, Huangqin, Chaihu , have been proved to have the potential to directly inhibit papain-like protease and 3C-like protease, which are essential for the replication of the pathogen SARS-CoV-2 that causes COVID-19 [ 12 , 45 ].…”

Anti-COVID-19 drug screening: Frontier concepts and core technologies

“…In order to find out the potential Chinese medicines or active ingredients against COVID-19, scholars used data mining and network to mine the high-frequency Chinese medicines and formulas from ancient prescriptions, then explored binding rates between the main ingredients in high frequency Chinese medicines and the key targets of SARS-COV-2 via using molecular docking approach. Finally, a network pharmacology was used to uncover the potential molecular mechanism [ 81 ]. Researchers can quickly screen out potential medicines by CADD, but further animal experiments and clinical studies should be performed to confirm the safety and effectiveness of these medicines.…”