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In silico and in vitro screening of FDA-approved drugs for potential repurposing against tuberculosis

Sridharan Brindha, Jagadish Chandrabose Sundaramurthi, Savariar Vincent, Devadasan Velmurugan, John Joel Gnanadoss
doi: https://doi.org/10.1101/228171
Sridharan Brindha
1Loyola College, Nungambakkam, Chennai 600034, Tamil Nadu, India
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Jagadish Chandrabose Sundaramurthi
2National Institute for Research in Tuberculosis (ICMR), Chetpet, Chennai 600031, Tamil Nadu, India
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Savariar Vincent
1Loyola College, Nungambakkam, Chennai 600034, Tamil Nadu, India
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Devadasan Velmurugan
3CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai – 600025, Tamil Nadu, India
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John Joel Gnanadoss
1Loyola College, Nungambakkam, Chennai 600034, Tamil Nadu, India
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  • For correspondence: joelgna@gmail.com
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Abstract

Motivation Repurposing of known drugs to newer clinical conditions is a promising avenue for finding novel therapeutic applications for tuberculosis.

Methods We performed docking-based virtual screening for 1554 known drugs against two of the potential drug targets, namely trpD and coaA of M. tuberculosis. In the first round of in silico screening we used rigid docking using Glide and AutoDock Vina. We subjected the consistently ranked drugs for induced-fit docking by these tools against the same target proteins. We performed luciferase reporter phage (LRP) assay to determine the biological activity of five selected drugs against M. tuberculosis.

Results We observed lymecycline and cefpodoxime to be active against drug susceptible and drug resistant strains of M. tuberculosis. In addition, lymecycline and cefpodoxime showed synergistic activity with rifampin and isoniazid against M. tuberculosis.

Conclusion Our results suggest that lymecycline and cefpodoxime have potential to be repurposed for the treatment of tuberculosis.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. All rights reserved. No reuse allowed without permission.
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Posted December 03, 2017.
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In silico and in vitro screening of FDA-approved drugs for potential repurposing against tuberculosis
Sridharan Brindha, Jagadish Chandrabose Sundaramurthi, Savariar Vincent, Devadasan Velmurugan, John Joel Gnanadoss
bioRxiv 228171; doi: https://doi.org/10.1101/228171
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In silico and in vitro screening of FDA-approved drugs for potential repurposing against tuberculosis
Sridharan Brindha, Jagadish Chandrabose Sundaramurthi, Savariar Vincent, Devadasan Velmurugan, John Joel Gnanadoss
bioRxiv 228171; doi: https://doi.org/10.1101/228171

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