Inhibiting multidrug resistant Shigella flexneri using comparative genomics guided In vitro and In silico screening

Sarmishta Mukhopadhyay1, Fernando Berton Zanchi2, Gaurab Aditya Dhar1

  • 1Post Graduate and Research Department of Biotechnology, St. Xavier's College (Autonomous) Kolkata, West Bengal, India.

PubMed
Abstract

Insights

Two medicinal plant extracts, Psidium guajava and Scoparia dulcis, show promise against multidrug-resistant Shigella flexneri. This research explores novel phytopharmaceuticals to combat shigellosis, a major infant diarrheal disease.

Area of Science:

  • Microbiology
  • Pharmacology
  • Computational Biology

Background:

  • Shigella infection causes significant infant diarrheal mortality globally.
  • Rising antibiotic resistance and emerging strains necessitate new treatments for shigellosis.

Purpose of the Study:

  • To evaluate the in-vitro antibacterial activity of medicinal plants against multidrug-resistant Shigella flexneri.
  • To identify potential phytopharmaceuticals for treating shigellosis.

Main Methods:

  • Virtual screening, molecular docking, and molecular dynamic simulations were employed to identify active natural compounds.
  • Comparative transcriptome analysis and qRT-PCR were used to understand the antimicrobial mechanisms.

Main Results:

  • Extracts from Psidium guajava and Scoparia dulcis demonstrated viable therapeutic potential against multidrug-resistant Shigella.
  • Specific compounds like 5-Hydroxy-1-isopropyl-6,6-dimethyl-5-phenyl-piperidin-2-one and limonene were identified as prospective agents.

Conclusions:

  • Psidium guajava and Scoparia dulcis offer promising phytopharmaceutical candidates for controlling Shigella infections.
  • Further research may lead to the development of novel treatments to combat Shigella superbugs.

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