Affiliation:
1. AISSMS College of Pharmacy, Kennedy Road, Pune-01, India
Abstract
Background:
Entry inhibitors prevent the binding of human immunodeficiency virus
protein to the chemokine receptor CXCR4 and are used along with conventional anti-HIV therapy.
They aid in restoring immunity and can prevent the development of HIV-TB co-infection.
Aim:
In the present study, various thiazolidinone-pyrazine derivatives earlier studied for NNRT
inhibition activity were gauged for their entry inhibitor potential.
Objective:
The objective of the study is to perform molecular docking, ADME, toxicity studies of
some thiazolidinone-pyrazine derivatives as entry inhibitors targeting CXCR4 co-receptors.
Methods:
In-silico docking studies were performed using AutoDock Vina software and compounds
were further studied for ADME and toxicity using SwissADME and pkCSM software, respectively.
Results:
Taking into consideration the docking results, pharmacokinetic behaviour and toxicity profile,
four molecules (compounds 1, 9, 11, and 16) have shown potential as entry inhibitors.
Conclusion:
These compounds have shown potential as both NNRTI and entry inhibitors and hence
can be used in management of immune compromised diseases like TB-HIV coinfection.
Publisher
Bentham Science Publishers Ltd.
Subject
Virology,Infectious Diseases
Cited by
1 articles.
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