Combatting antibiotic resistance in Gardnerella vaginalis: A comparative in silico investigation for drug target identification Original paper
Researched by:
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Divine Aleru
ID
Divine Aleru
I am a biochemist with a deep curiosity for the human microbiome and how it shapes human health, and I enjoy making microbiome science more accessible through research and writing. With 2 years experience in microbiome research, I have curated microbiome studies, analyzed microbial signatures, and now focus on interventions as a Microbiome Signatures and Interventions Research Coordinator.
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Women’s Health
Women’s Health
Women’s health, a vital aspect of medical science, encompasses various conditions unique to women’s physiological makeup. Historically, women were often excluded from clinical research, leading to a gap in understanding the intricacies of women’s health needs. However, recent advancements have highlighted the significant role that the microbiome plays in these conditions, offering new insights and potential therapies. MicrobiomeSignatures.com is at the forefront of exploring the microbiome signature of each of these conditions to unravel the etiology of these diseases and develop targeted microbiome therapies.
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Bacterial Vaginosis
Bacterial Vaginosis
Bacterial vaginosis (BV) is caused by an imbalance in the vaginal microbiota, where the typically dominant Lactobacillus species are significantly reduced, leading to an overgrowth of anaerobic and facultative bacteria.
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Divine Aleru
Researched by:
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Divine Aleru
ID
Divine Aleru
Microbiome Signatures identifies and validates condition-specific microbiome shifts and interventions to accelerate clinical translation. Our multidisciplinary team supports clinicians, researchers, and innovators in turning microbiome science into actionable medicine.
Divine Aleru
Who was Studied?
This study focused on combating antibiotic resistance in Gardnerella vaginalis, a bacterium frequently associated with bacterial vaginosis (BV). The researchers employed an in silico approach to identify potential drug targets and therapeutic strategies. By utilizing subtractive genomics and comparative genomics, they analyzed the G. vaginalis proteome to find unique proteins crucial for bacterial survival and virulence, which could serve as drug targets. The study further explored FDA-approved compounds using virtual screening techniques to identify potential inhibitors of these targets. Additionally, the study performed detailed protein structural modeling, docking, and ADMET profiling of the shortlisted compounds to assess their suitability for therapeutic use.
Who was Studied?
The study focused on Gardnerella vaginalis, which is often linked to bacterial vaginosis. It did not study individuals directly but rather the bacterial proteome, applying computational methods to identify druggable targets within the pathogen. The proteome of G. vaginalis was retrieved from the UniProt database, and various bioinformatics tools were used to identify potential drug targets based on their essentiality, uniqueness, and non-homology to human proteins.
What are the Most Important Findings?
The study identified phospho-2-dehydro-3-deoxyheptonate aldolase (PDA) as a promising drug target for G. vaginalis. This enzyme plays a critical role in the shikimate pathway, which is essential for producing aromatic amino acids and other metabolites. The identification of this enzyme is significant because it is non-homologous to human proteins, reducing the risk of off-target effects. The researchers found five compounds from the DrugBank database that could inhibit PDA effectively. The compounds demonstrated strong binding affinities to the target protein, suggesting their potential as effective treatments. Virtual screening results showed that these compounds have favorable pharmacokinetic profiles, including good bioavailability, and do not inhibit key enzymes responsible for drug metabolism, making them promising candidates for repurposing to treat G. vaginalis infections.
What are the Implications of the Study?
This study presents a significant step toward identifying new therapeutic strategies for treating G. vaginalis infections, particularly in the face of rising antibiotic resistance. The identification of PDA as a drug target opens up new possibilities for developing treatments that are more effective than current antibiotics, which often face resistance issues. The use of in silico methods, such as molecular docking and virtual screening, allows for the rapid identification of promising drug candidates, saving time and resources compared to traditional experimental approaches. By repurposing FDA-approved compounds, the study suggests a faster route to clinical application, potentially providing affordable treatments for bacterial vaginosis. This approach also highlights the potential of computational tools in addressing antibiotic resistance and discovering new uses for existing drugs.
Bacterial Vaginosis
Bacterial vaginosis (BV) is caused by an imbalance in the vaginal microbiota, where the typically dominant Lactobacillus species are significantly reduced, leading to an overgrowth of anaerobic and facultative bacteria.
Bacterial Vaginosis
Bacterial vaginosis (BV) is caused by an imbalance in the vaginal microbiota, where the typically dominant Lactobacillus species are significantly reduced, leading to an overgrowth of anaerobic and facultative bacteria.