Docking based screening of curcumin derivatives: a novel approach in the inhibition of tubercular DHFR
by Somdutt Mujwar; Kamal Shah; Jeetendra Kumar Gupta; Alekh Gour
International Journal of Computational Biology and Drug Design (IJCBDD), Vol. 14, No. 4, 2021

Abstract: Tuberculosis is one of the main causes of morbidity and mortality across the globe. Mycobacterium tuberculosis can attack any part of the human body and can cause treacherous effects also. It maltreats not only the respiratory system but also many vital organs of the sufferers. Tuberculosis is one of the prevalent diseases and known for its deleterious effect on human beings. The regimen for its cure consists of multiple drugs. The resistance to these drugs is one of the crucial problems that exacerbate this muddle. This paper aims to identify the receptor dihydrofolate reductase as a potential drug target present in the mycobacterium tuberculosis which adds a breakthrough in the alleviation of this illness and may help a bid to fight against resistant strains. The present study consists of the molecular docking simulation of thirty-two reported curcumin derivatives against bacterial dihydrofolate reductase (DHFR) to identify potential lead molecules for inhibition of tubercular bacteria. On the basis of the in-silico studies, the best five ligand molecules for bacterial DHFR were identified. The present study gives a novel insight into the management of tuberculosis through curcumin derivatives.

Online publication date: Mon, 08-Nov-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