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Antibiotic Interactions with Key Algal Proteins Responsible for Photosynthesis: Molecular Docking-Based Correlates

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Proceedings of the National Academy of Sciences, India Section B: Biological Sciences Aims and scope Submit manuscript

Abstract

The use of antibiotics has increased significantly recently. Humans and animals are unable to metabolize antibiotics completely. So, these antibiotics are released into the aquatic environments. Different blue-green and green algae are the major non-target organisms affected by antibiotics except bacteria. This study showed that antibiotics inhibit different proteins that are required for photosynthesis. Data showed that gentamicin, ampicillin, chloramphenicol, erythromycin, and rifamycin majorly affected the PSI proteins, whereas iclaprim, clindamycin, sulfadiazine, and tetracycline affected the PSII proteins. Two antibiotics, viz., ciprofloxacin, and nalidixic acid targeted cytochrome (cyt b6f). Results proved that rifamycin, erythromycin, and tetracycline were highly toxic with the lowest binding energies of −12.22, −12.13, and −10.45 kcal/mol. LigPlot + software revealed the binding site of the proteins for the antibiotics and the atoms responsible for hydrogen and hydrophobic interactions. This study helps to identify the possible mode-of-action for the antibiotics towards non-target organisms by further experiments.

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Acknowledgements

The authors are thankful to the management of VIT, Vellore for providing the research facilities. The authors did not receive any specific grants from funding agencies in the public, commercial, or non-profit sectors for the implementation of this in silico work.

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Authors and Affiliations

  1. School of Biosciences and Technology, VIT, Vellore, 632014, India

    Barsha Roy & Suresh P. K.

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  1. Barsha Roy
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  2. Suresh P. K.
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Contributions

BR and PKS designed the experiment. BR performed the experiment. BR and PKS analyzed the data. BR wrote the original manuscript and PKS reviewed the same. The authors declare that they have no conflicts of interest.

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Correspondence to Suresh P. K..

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Significance Statement: Our in-silico analyses have shown differences in the binding affinity of antibiotics for targets in blue-green versus green algal systems. Also, docking results point towards PSI and PSII proteins, as being significant photosynthesis-related targets.

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Roy, B., Suresh, P.K. Antibiotic Interactions with Key Algal Proteins Responsible for Photosynthesis: Molecular Docking-Based Correlates. Proc. Natl. Acad. Sci., India, Sect. B Biol. Sci. 91, 715–725 (2021). https://doi.org/10.1007/s40011-021-01283-6

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