Title

Identification of potential inhibitors for Penicillin binding protein (PBP) from Staphylococcus aureus

Authors

Langeswaran Kulanthaivel^1,*, Jeyakanthan Jeyaraman², Abir Biswas³, Gowtham Kumar Subbaraj⁴, S. Santhoshkumar⁵

Affiliation

¹Cancer Genetics & Molecular Biology Laboratory, Department of Bioinformatics, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India; ²Structural Biology & Bio-computing, Department of Bioinformatics, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India; ³Abir Biswas, Molecular Gerontology Lab, Department of Biochemistry, Bharathidasan University, Thiruchirapalli, Tamil Nadu, India; ⁴Faculty of Allied Health Sciences, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Kelambakkam, Chennai, Tamil Nadu, India; ⁵Department of Computer Science, Alagappa University, Karaikudi, Tamil Nadu, India

Email

Langeswaran Kulanthaivel – E-mail: dr.langeswaran@gmail.com

Article Type

Hypothesis

Date

Received September 7, 2018; Revised October 8, 2018; Accepted October 9, 2018; Published November 02, 2018

Staphylococcus aureus is an infectious agent that causes severe skin and soft tissue infection in hospitalized patients. Therefore, it is of interest to develop potent inhibitors for S. aureus. Penicillin Binding protein (PBP) is a known drug target for inhibition of cell wall biosynthesis in S. aureus. Hence, PBP was screened with compounds from six databases using virtual screening approaches. Results shows that the screened lead compound produced higher docking score (-9.87 kcal/mol) compared to resistant drugs. Antimicrobial activity using screened lead compounds and resistant drugs showed maximum activity in potential screened compounds compared to resistant compounds.

Keywords

Staphylococcus aureus, penicillin binding protein, virtual screening, molecular docking

Citation

Kulanthaivel et al. Bioinformation 14(9): 471-476 (2018)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.