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Topoisomerase II as a target for repurposed antibiotics in Candida albicans: an in silico study

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Abstract

Fluoroquinolines, the widely used antibacterial antibiotics, have been shown to interact with human DNA topoisomerases supporting their use as repurposed cancer drugs in humans. In this communication molecular docking of eleven Fluoroquinolines against predicted structure of Candida albicans DNA Topoisomerase II is reported for the first time. C. albicans topoisomerase II structure prediction was done by using homology modeling tool. Ligand preparation and molecular docking with C. albicans topoisomerase II were done by using Autodock tool. These antibiotics formed hydrogen bond with good binding affinity at ARG 841, GLN803, ALA840 amino acid residues in the active site of C. albicans Topoisomerase II. We hypothesize that DNA toposiomerases may be the targets of Fluroquinoline group of antibiotics in C. albicans causing inhibition of growth.

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Acknowledgements

AKJ and SMK is thankful to DY Patil Education Society (Deemed to be University), Kolhapur, 416006, Maharashtra, India for providing funding support for Research.

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  1. Department of Stem Cell and Regenerative Medicine, Centre for Interdisciplinary Research, DY Patil Education Society (Deemed to be University), (NAAC Re Accredited with ‘A’ Grade), Kolhapur, Maharashtra, 416006, India

    Ashwini Khanderao Jadhav & Sankunny Mohan Karuppayil

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  1. Ashwini Khanderao Jadhav
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  2. Sankunny Mohan Karuppayil
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Correspondence to Sankunny Mohan Karuppayil.

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Jadhav, A.K., Karuppayil, S.M. Topoisomerase II as a target for repurposed antibiotics in Candida albicans: an in silico study. In Silico Pharmacol. 9, 24 (2021). https://doi.org/10.1007/s40203-021-00082-1

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