Repository of Research and Investigative Information

Repository of Research and Investigative Information

Baqiyatallah University of Medical Sciences

Evaluation of caffeic acid derivatives ADMET as antiviral compounds

(2017) Evaluation of caffeic acid derivatives ADMET as antiviral compounds. International Journal of Advanced Biotechnology and Research. pp. 1496-1502. ISSN 0976-2612

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Abstract

Some herbal compounds passes antiviral activity such as caffeic acid and its derivatives. Caffeic acid derivatives are found in some medical herbs including red Sage, Echinacea, Eucalyptus, teas and coffee. Many studies have indicated that caffeic acid derivatives are susceptible to influence on influenza virus, herpes simplex virus, Rhinovirus, SAR virus, HIV, HCV and HBV, significantly. ADMET, which is a pharmaceuticalsubstance disposition description within an organism, is evaluated by computerized methods. In the article, 16 compounds of caffeic acid derivatives ADMET were investigated. The compounds data were collected from ChemSpider website. After that, ADME and toxicity were measured by Molinspiration website and ToxTree software, respectively. The resultsdemonstrated that Caffeic acid, Caffeoylmalic acid, Dactylifric acid, p-Coumaric acid glocuside, Coutaric acid, Ethyl Caffeate, Methyl Caffeate, Fertaric acid and Caffeic acid phenethyl esterpasses suitable ADME. Somecaffeic acid derivatives containsCaffeic acid, Caffeoylmalic acid, Chicoric acid, Caftaricacid, Coutaric acid, Ethyl Caffeate, Methyl Caffeate, Fertaric acid and Caffeic acid phenethyl ester, were categorized in toxic hazard class I. Thus, they have low toxic hazard. Consequently, caffeic acid derivatives which have low toxic hazard, suitable ADME and no violation based on Lipinski's rule of five, are capable ofapplying in drug discovery for viral diseases.

Item Type: Article
Keywords: Caffeic acid derivatives Antiviral ADME Toxicity Chemoinformatic chemistry Biotechnology & Applied Microbiology
Divisions:
Page Range: pp. 1496-1502
Journal or Publication Title: International Journal of Advanced Biotechnology and Research
Journal Index: ISI
Volume: 8
Number: 2
ISSN: 0976-2612
Depositing User: مهندس مهدی شریفی
URI: http://eprints.bmsu.ac.ir/id/eprint/4691

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