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

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Abstract

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.

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Waves of resistance: Staphylococcus aureus in the antibiotic era.

Henry Chambers, Frank DeLeo (2009)

Staphylococcus aureus is notorious for its ability to become resistant to antibiotics. Infections that are caused by antibiotic-resistant strains often occur in epidemic waves that are initiated by one or a few successful clones. Methicillin-resistant S. aureus (MRSA) features prominently in these epidemics. Historically associated with hospitals and other health care settings, MRSA has now emerged as a widespread cause of community infections. Community or community-associated MRSA (CA-MRSA) can spread rapidly among healthy individuals. Outbreaks of CA-MRSA infections have been reported worldwide, and CA-MRSA strains are now epidemic in the United States. Here, we review the molecular epidemiology of the epidemic waves of penicillin- and methicillin-resistant strains of S. aureus that have occurred since 1940, with a focus on the clinical and molecular epidemiology of CA-MRSA.

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Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications

Roberta Galeazzi (2009)

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Author and article information

Journal

Journal ID (nlm-ta): Bioinformation

Journal ID (iso-abbrev): Bioinformation

Journal ID (publisher-id): Bioinformation

Title: Bioinformation

Publisher: Biomedical Informatics

ISSN (Electronic): 0973-2063

Publication date Collection: 2018

Publication date (Electronic): 2 November 2018

Volume: 14

Issue: 9

Pages: 471-476

Affiliations

[1 ]Cancer Genetics and Molecular Biology Laboratory, Department of Bioinformatics, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India

[2 ]Structural Biology and Bio-computing, Department of Bioinformatics, Science Campus, Alagappa University, Karaikudi, Tamil Nadu, India

[3 ]Abir Biswas, Molecular Gerontology Lab, Department of Biochemistry, Bharathidasan University,Thiruchirapalli, Tamil Nadu, India

[4 ]Faculty of Allied Health Sciences, Chettinad Hospital and Research Institute, Chettinad Academy of Research and Education, Kelambakkam, Chennai, Tamil Nadu, India

[5 ]Department of Computer Science, Alagappa University, Karaikudi, Tamil Nadu, India

Author notes

[* ]Langeswaran Kulanthaivel1 dr.langeswaran@ 123456gmail.com

Article

Publisher ID: 97320630014471

DOI: 10.6026/97320630014471

PMC ID: 6563657

SO-VID: 9b66d87b-e383-477e-80d9-f37c3fcd4e62

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.

History

Date received : 7 September 2018

Date revision received : 8 October 2018

Date accepted : 9 October 2018

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