Dataset Information

Identification of repurposable drug targets in Mycoplasma pneumoniae using subtractive genomics, molecular docking and dynamics simulation.

ABSTRACT: Mycoplasma pneumoniae is a significant causative agent of community-acquired pneumonia, causing acute inflammation in the upper and lower respiratory tract as well as extrapulmonary syndromes. In particular, the elderly and infants are at greater risk of developing severe, life-threatening pneumonia caused by M. pneumoniae. Yet, the global increase in antimicrobial resistance against antibiotics for the treatment of M. pneumoniae infection highlights the urgent need to explore novel drug targets. To this end, bioinformatics approaches, such as subtractive genomics, can be employed to identify specific metabolic pathways and essential proteins unique to the pathogen that could be potential targets for new drugs. In this study, we implemented a subtractive genomics approach to identify 61 metabolic pathways and 42 essential proteins that are unique to M. pneumoniae. A subsequent screening in the DrugBank database revealed three druggable proteins with similarity to FDA-approved small-molecule drugs, and finally, the compound CHEBI:97093 was identified as a promising novel putative drug target. These findings can provide crucial insights for the development of highly effective drugs that selectively inhibit the pathogen-specific metabolic pathways, leading to better management and treatment of M. pneumoniae infections.

SUBMITTER: Chowdhury ZM

PROVIDER: S-EPMC10682543 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature

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Identification of repurposable drug targets in Mycoplasma pneumoniae using subtractive genomics, molecular docking and dynamics simulation.

Chowdhury Zeshan Mahmud ZM Jamal Tabassum Binte TB Ahammad Ishtiaque I Bhattacharjee Arittra A Lamisa Anika Bushra AB Jani Jannatul Maoa JM Israk Md Fahim MF Hossain Mohammad Uzzal MU Das Keshob Chandra KC Keya Chaman Ara CA Salimullah Md M

Heliyon 20231104 11

Mycoplasma pneumoniae is a significant causative agent of community-acquired pneumonia, causing acute inflammation in the upper and lower respiratory tract as well as extrapulmonary syndromes. In particular, the elderly and infants are at greater risk of developing severe, life-threatening pneumonia caused by M. pneumoniae. Yet, the global increase in antimicrobial resistance against antibiotics for the treatment of M. pneumoniae infection highlights the urgent need to explo ...[more]

PMID: 38034688

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Dataset Information

Identification of repurposable drug targets in Mycoplasma pneumoniae using subtractive genomics, molecular docking and dynamics simulation.

Publications

Identification of repurposable drug targets in <i>Mycoplasma pneumoniae</i> using subtractive genomics, molecular docking and dynamics simulation.

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