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Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides



Anitha Roy1, Aneymol Varikalam Sleeba2, Rini Joy3, Ponnulakshmi Rajagopal4



1Department of Pharmacology, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences, Chennai, Tamil Nadu, India; 2Department of Microbiology, St. Xavier’s College for Women, Aluva, Kerala-683101, India; 3Department of Oral Medicine and Radiology, SRM Dental College and Hospitals, Ramapuram, Chennai - 600089, Tamil Nadu, India; 4Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be Universiy) Chennai-600 078, India



*Corresponding author: Dr. Anitha Roy - Email: anitharoy2015@gmail.com


Article Type

Research Article



Submitted on July 31, 2020; Revision August 13, 2020; Accepted August 13, 2020; Published September 30, 2020



Staphylococcus aureus has been recognized as an important human pathogen for more than 100 years. DNA ligase is the main protein responsible for the replication of S. aureus. DNA ligase was selected as successive target to control the replication mechanism. The antibacterial activity of polysaccharide is known. Therefore, it is of interest to study the activity of Polysaccharide analogues against DNA ligase in S. aureus using molecular docking analysis. We report ten analogues using scoring parameters with best two analogues as potential drug candidate for the combat of S. aureus infection.



S. aureus, DNA ligase, Polysaccharide, Molecular docking



Roy et al. Bioinformation 16(9): 719-724 (2020)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.