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

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 Top...

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Bibliographic Details
Published in:In silico pharmacology 2021-03, Vol.9 (1), p.24-24, Article 24
Main Authors: Jadhav, Ashwini Khanderao, Karuppayil, Sankunny Mohan
Format: Article
Language:English
Subjects:
Amino acids
Antibiotics
Antiinfectives and antibacterials
Biomedical and Life Sciences
Biomedical Engineering and Bioengineering
Biomedicine
Cellular and Medical Topics
Commentary
Computational Science and Engineering
Deoxyribonucleic acid
DNA
Homology
Hydrogen bonds
Medicinal Chemistry
Molecular docking
Pharmacology/Toxicology
Physiological
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Summary: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.
ISSN:2193-9616
2193-9616
DOI:10.1007/s40203-021-00082-1