Potential of the flavonoid compounds of Ageratum conyzoides as candidates for the treatment of foot-mouth-diseases (FMD) in livestock animals: a bioinformatics approach
by Endik Deni Nugroho; Ahmad Misbakhus Sururi; Reza Ardiansyah; Dwi Anggorowati Rahayu; Roisatul Ainiyah; Amang Fathurrohman; Zainul Ahwan; Muhammad Dayat; Mulyono Wibisono; Fatit Rahmat Aji; Kasiman
International Journal of Computational Biology and Drug Design (IJCBDD), Vol. 16, No. 1, 2024

Abstract: Livestock ecology and economy are threatened by foot-and-mouth disease (FMD) caused by FMD-virus. Especially with natural herbal compounds, this difficulty remains. Overcoming this issue requires the discovery of herbal therapeutic ingredients, especially flavonoids. An herbaceous plant called Ageratum conyzoides may solve this problem. This work examines the in silico suppression of RNA-dependent RNA-polymerase (RdRp) and 3C^pro FMDV by A. conyzoides flavonoid compounds as FMD antivirals. This study used precocene I, II, 5-methoxynobiletin, lycopsamine, sinensetin, eupalestin, quercetin, kaempferol, 5,6,7,8,3',5'-hexamethoxyflavone, and isoflavone glycosides. Potential compounds were then assessed for Lipinski druglikeness, ADME, and toxicity prediction. The results showed that six compounds could synergistically inhibit RdRp and 3C^pro, with binding values -6.9 kcal/mol to -7.5 kcal/mol lower than ribavirin, the control drug. Lipinski's druglikeness analysis implies oral drug potential for the six substances. As an FMD-antiviral candidate, absorption, distribution, metabolism, and excretion (ADMET) analysis is also positive. Further research is needed to determine anti-FMD potential.

Online publication date: Tue, 02-Jul-2024

The full text of this article is only available to individual subscribers or to users at subscribing institutions.

 
Existing subscribers:
Go to Inderscience Online Journals to access the Full Text of this article.

Pay per view:
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.

Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Computational Biology and Drug Design (IJCBDD):
Login with your Inderscience username and password:

Username:        Password:          Forgotten your password?

Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.

If you still need assistance, please email subs@inderscience.com