Molecular docking studies of Staphylococcal clumping factor A inhibitors from Elettaria cardamomum and Acacia nilotica
by Rosy Kumari; Ratish Chandra Mishra; Shivani Yadav; Jaya Parkash Yadav
International Journal of Computational Biology and Drug Design (IJCBDD), Vol. 14, No. 1, 2021

Abstract: Clumping factor A (ClfA) is a cell wall adhesin protein of methicillin-resistant Staphylococcus aureus (MRSA) which plays an important role in interaction with host. In the present study, virtual screening of potential inhibitors from Elettaria cardamomum and Acacia nilotica was carried out against ClfA using autodock 4.0. Top score phytoligands were further subjected to absorption, distribution, metabolism, excretion (ADME) analysis. Among ninety nine phytochemicals screened, santalol, stigmasterol, undecylenic acid, β-sitosterol, bergamotol, geraniol showed high dock score against ClfA. In addition undecylenic acid, β-sitosterol and geraniol follows Lipinski rule and does not inhibit the metabolic enzyme cytochrome p450. Therefore, these compounds can be the potential source of drug development against MRSA.

Online publication date: Thu, 08-Apr-2021

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