Molecular Modeling and Drug Design: A Contemporary Analysis in Vibrio cholerae

  • Mobashar Hussain Urf Turabe Fazil
  • K. Konda Reddy
  • Haushila Prasad Pandey
  • Sunil Kumar


Vibrio cholerae causes the diarrheal disease cholera. This microbe inhabits well in human host and aquatic environments. Excessive use of antibiotics has contributed to the emergence of antibiotic resistance in V. cholerae. Quorum sensing is one of the lucrative targets presently pursued for drug design in bacteria to encounter virulence. LuxO, a response regulator, is an important part of quorum-sensing machinery in V. cholerae contributing in biofilms and virulence machinery. In this chapter, we will concisely discuss the disease, its clinical display, and distinctive methodologies to find drug targets. As a treatise on the method of drug design in V. cholerae, we used our in silico model of LuxO in this chapter, to predict probable sites of interference, and then used these sites for in silico drug design.


Vibrio cholerae Drug design Novel drug targets Quorum sensing 


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Copyright information

© Springer Nature Singapore Pte Ltd. 2018

Authors and Affiliations

  • Mobashar Hussain Urf Turabe Fazil
    • 1
  • K. Konda Reddy
    • 2
  • Haushila Prasad Pandey
    • 3
  • Sunil Kumar
    • 4
    • 5
  1. 1.Lee Kong Chian School of MedicineNanyang Technological UniversitySingaporeSingapore
  2. 2.Department of PharmacyNational University of SingaporeSingaporeSingapore
  3. 3.Department of BiochemistryNepalgunj Medical College, Chisapani Campus, Kathmandu UniversityNepalgunjNepal
  4. 4.Bioinformatics CentreInstitute of Life SciencesBhubaneswarIndia
  5. 5.ICAR-NBAIMMauIndia

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