6th International Young Scientist Congress (IYSC-2020) will be Postponed to 8th and 9th May 2021 Due to COVID-19. 10th International Science Congress (ISC-2020).  International E-publication: Publish Projects, Dissertation, Theses, Books, Souvenir, Conference Proceeding with ISBN.  International E-Bulletin: Information/News regarding: Academics and Research

Insilico identification of novel compound against Urinary Tract Infection

Author Affiliations

  • 1BIITP Trainee, Biotech Consortium India Limited, New Delhi, India
  • 2R and D Division, MRD Life Sciences Pvt Ltd, Lucknow, U.P, India
  • 3BIITP Trainee, Biotech Consortium India Limited, New Delhi, India
  • 4BIITP Trainee, Biotech Consortium India Limited, New Delhi, India

Int. Res. J. Biological Sci., Volume 5, Issue (3), Pages 51-55, March,10 (2016)


Urinary tract infections are one of the widest diseases in India nowadays. There are only limited diagnoses about the major cause of infection to initiate UTIs in humans. Most of the UTIs are caused by bacteria and fungus and are one of the most common indications for rapid increase in antibiotics usage for UTIs. FimH are surface organelles of Escherichia coli, responsible for UTIs, found on the tip of Escherichia coli pili that interact with oligomannose on urothelial cells of urinary tract. We selected six Benzimidazole derivatives, that exhibits antimicrobial activity, were docked against the FimH protein. The docking analysis of FimH against six Benzimidazole derivatives revealed that all six Benzimidazole derivatives have potential to work against UTIs, but 1-{1-[(2Z)-3-(3-chlorophenyl) prop-2-enoyl]-1H-benzimidazol-2-yl}ethanol (-8.04 kcal/mol) fits better than the rest. Some of the commonly used drugs to treat UTIs include Ciprofloxin, Fosfomycin, Levofloxacin and Nitrofurantoin these drugs were subjected to docking analysis for comparative studies.


  1. Becknell Brian et al. (2015)., The diagnosis, evaluation and treatment of acute and recurrent pediatric urinary tract infections., Expert review of anti-infective therapy, 13, 1, 81-90.
  2. The National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) (2011)., http://www.niddk. nih.gov/., undefined
  3. Habibi Mehri, Mohammad Reza, Asadi Karam and Saeid Bouzari (2015)., In silico design of fusion protein of FimH from uropathogenic Escherichia coli and MrpH from Proteus mirabilis against urinary tract infections., Advanced biomedical research, 4.
  4. Walia Ramandeep and Hedaitullah et al. (2011)., Benzimidazole derivatives., International Journal of research in pharmacy and chemistry, 1(3).
  5. Subash Chandra bose and Sargurunathan et al. (2014)., Host-specific induction of Escherichia coli fitness genes during human urinary tract infection., Proceedings of the National Academy of Sciences, 111.51, 18327-18332.
  6. Krogfelt Karen A., Hans Bergmans and Per Klemm. (1990)., Direct evidence that the FimH protein is the mannose-specific adhesin of Escherichia coli type 1 fimbriae., Infection and Immunity, 58, 6, 1995-1998.
  7. Tchesnokova Veronika et al. (2011)., Type 1 fimbrial adhesin FimH elicits an immune response that enhances cell adhesion of Escherichia coli., Infection and immunity, 79, 10, 3895-3904.
  8. Schembri Mark A., Evgeni V. Sokurenko and Per Klemm (2000)., Functional flexibility of the FimH adhesin: insights from a random mutant library., Infection and immunity, 68, 5, 2638-2646.
  9. George B. Moody. (2016)., An introduction to cygwin., www.cygwin.com. 12/1/2016.
  10. Garrett M. Morris, Ruth Huey, William Lindstrom, Michel F. Sanner, Richard K. Belew, David S. Goodsell and Arthur J. Olson (2016)., AutoDock 4 and AutoDock Tools 4: Automated docking with selective receptor flexibility., www.scripps.edu.21/02/16.
  11. Morris G.M. et al. (2010)., AutoDock Version 4.2: Automated docking of flexible ligands to flexible receptors., The Scripps Research Institute: California.
  12. Tim Glennon and Dana Haley-vicente. (2016)., Protein-protein docking methods used to study complex protein interactions., www.accelerys.com.23/1/2016.
  13. Berman HM et al. (2016)., The Protein Data Bank., http://www.rcsb.org/pdb/home/home.do. 2/2/2016.
  14. David S. and Wishart et al. (2016)., Drug Bank: A Knowledge base for drugs, drug actions and drug targets., http://www.drugbank.ca/. 25/1/2016.
  15. Noel M and O, Open Babel: An open chemical toolbox., https://sourceforge.net/projects/ openbabel. 23/12/2015.
  16. Mohd Ahmar Rauf and Swaleha Zubair (2016)., Ligand docking and binding site analysis with pymol and AutoDock vina., https://www.pymol.org. 22/02/2016.