B6. In silico screening and experimental validation of novel inhibitors of nitric oxide from a database of natural products derived from traditional chinese medicine

Nitric Oxide ◽  
2007 ◽  
Vol 17 ◽  
pp. 17
Author(s):  
V.B. Konkimalla ◽  
M. Blunder ◽  
R. Bauer ◽  
T. Efferth
Keyword(s):  
Nitric Oxide ◽  
Natural Products ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
In Silico ◽  
Experimental Validation ◽  
In Silico Screening

scholarly journals Correction to “Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library”

2019 ◽  
Vol 62 (21) ◽  
pp. 10004-10004
Author(s):  
Faraz Shaikh ◽  
Yuguang Zhao ◽  
Luis Alvarez ◽  
Maria Iliopoulou ◽  
Christopher Lohans ◽  
...  
Keyword(s):  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
In Silico ◽  
In Silico Screening

scholarly journals Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library

2019 ◽  
Vol 62 (6) ◽  
pp. 2928-2937 ◽  
Author(s):  
Faraz Shaikh ◽  
Yuguang Zhao ◽  
Luis Alvarez ◽  
Maria Iliopoulou ◽  
Christopher Lohans ◽  
...  
Keyword(s):  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
In Silico ◽  
In Silico Screening

scholarly journals In Silico Screening of Natural Products Isolated from Mexican Herbal Medicines against COVID-19

Biomolecules ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 216
Author(s):  
Nadia A. Rivero-Segura ◽  
Juan C. Gomez-Verjan
Keyword(s):  
Natural Products ◽  
In Silico ◽  
Herbal Medicines ◽  
In Silico Screening ◽  
Docking Analysis ◽  
Physiologically Based Pharmacokinetic ◽  
Important Challenge ◽  
Emodin Anthrone ◽  
Therapeutic Tools ◽  
Vaccine Distribution

The COVID-19 pandemic has already taken the lives of more than 2 million people worldwide, causing several political and socio-economic disturbances in our daily life. At the time of publication, there are non-effective pharmacological treatments, and vaccine distribution represents an important challenge for all countries. In this sense, research for novel molecules becomes essential to develop treatments against the SARS-CoV-2 virus. In this context, Mexican natural products have proven to be quite useful for drug development; therefore, in the present study, we perform an in silico screening of 100 compounds isolated from the most commonly used Mexican plants, against the SARS-CoV-2 virus. As results, we identify ten compounds that meet leadlikeness criteria (emodin anthrone, kaempferol, quercetin, aesculin, cichoriin, luteolin, matricin, riolozatrione, monocaffeoyl tartaric acid, aucubin). According to the docking analysis, only three compounds target the key proteins of SARS-CoV-2 (quercetin, riolozatrione and cichoriin), but only one appears to be safe (cichoriin). ADME (absorption, distribution, metabolism and excretion) properties and the physiologically based pharmacokinetic (PBPK) model show that cichoriin reaches higher lung levels (100 mg/Kg, IV); therefore, it may be considered in developing therapeutic tools.

scholarly journals Leonurine, a Potential Agent of Traditional Chinese Medicine: Recent Updates and Future Perspectives

2016 ◽  
Vol 11 (11) ◽  
pp. 1934578X1601101 ◽  
Author(s):  
Di Yang ◽  
Wanwan Jia ◽  
Yi Zhun Zhu
Keyword(s):  
Natural Products ◽  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Therapeutic Potential ◽  
Biological Activities ◽  
Future Perspectives ◽  
Effective Agent ◽  
Recent Advances

Herba Leonuri, also named Chinese Motherwort, has been extensively investigated as an effective agent on the uterus system. Our group has been studying the natural products of Herba Leonuri for several years, and during this period, many biological activities of the drug were recognized. Leonurine (4-guanidino- N-butyl-syringate) is an alkaloid present in Herba Leonuri. Recently, growing evidence has highlighted the therapeutic potential of leonurine in multiple diseases, especially cardiovascular. In this review, we discuss the biological activities of leonurine, as well as recent advances involving this alkaloid.

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