An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein
South Asian Journal of Research in Microbiology,
Page 15-26
DOI:
10.9734/sajrm/2022/v12i430282
Abstract
Urinary tract infections (UTI) caused primarily by uropathogenic Escherichia coli (UPEC) are indeed an extremely contagious disease that affects people all over the world. FimH is a major virulence component in UTI pathogenesis, and inhibiting FimH function can be an efficient means to disarm UPEC bacteria, as well as a crucial target in the development of non-antibiotic mediated UTI treatment options. The goal of this study was to identify anthocyanins in plant parts and assess
their pharmacological characteristics. A computational methodology was used to predict the pharmacological characteristics of such substances. Compounds with pharmacophores comparable to those of known fimH inhibitors were chosen. Following that, additional research was carried out to assess their drug similarity, inhibitory potential, and IC50 values. Thus, the present study reports few novel fimH inhibitors derived from the selected plant’s phytochemicals, and is significant owing to their therapeutic implication as a non-antibiotic mediated therapy for UTI.
Keywords:
- Urinary tract infections
- Escherichia coli
- fimH
- computer aided drug design
How to Cite
Chowdhury, A., Choudhury, M. D., & Laskar, M. A. (2022). An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein. South Asian Journal of Research in Microbiology, 12(4), 15-26. https://doi.org/10.9734/sajrm/2022/v12i430282
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Chu CM, Lowder JL. Diagnosis and treatment of urinary tract infections across age groups. Am J Obstet Gynecol. 2018;219:40–51 [PubMed: 29305250]
Foxman B. Urinary tract infection syndromes: occurrence, recurrence, bacteriology, risk factors, and disease burden. Infectious Disease Clinics of North America. 2014;28(1):1–13. [PubMed: 24484571]
Choe HS, Lee SJ, Cho YH, et al. Aspects of urinary tract infections and antimicrobial resistance in hospitalized urology patients in Asia: 10-year results of the Global Prevalence Study of Infections in Urology (GPIU). J Infect Chemother. 2018;24:278–283 [PubMed: 29292177]
Sanchez GV, Master RN, Bordon J. Trimethoprim-sulfamethoxazole may no longer be acceptable for the treatment of acute uncomplicated cystitis in the the United States. Clinical Infectious Diseases. 2011;53(3):316–17. [PubMed: 21765092]
Karlowsky JA, Hoban DJ, Decorby MR, et al. Fluoroquinolone-resistant urinary isolates of Escherichia coli from outpatients are frequently multidrug resistant: results from the North American Urinary Tract Infection Collaborative Alliance-Quinolone Resistance study. Antimicrob Agents Chemother. 2006;50(6):2251–4. [PubMed: 16723598]
Zhanel G, Hisanaga T, Laing N, et al. Antibiotic resistance in Escherichia coli outpatient urinary isolates: final results from the North American Urinary Tract Infection Collaborative Alliance (NAUTICA). Int J Antimicrob Ag. 2006; 27(6):468–75.
Schaeffer A. The expanding role of fluoroquinolones. Disease-a-Month. 2003; 49(2):129–47.
[PubMed: 12601342].
Dielubanza E, Schaeffer A. Urinary Tract innfections in women. Medical Clinics of North America. 2011;95(1):27–41. [PubMed: 21095409]
Cole ST. Who will develop new antibacterial agents? Philosophical Transactions of the Royal Society, B: Biological Sciences. 2014;369(1645): 20130430.
Nathan C. Fresh approaches to anti-infective therapies. Sci Transl Med. 2012;4(140):140sr2.
[PubMed: 22745440].
Terlizzi M, Gribaudo G, Maffei ME. UroPathogenic Escherichia coli (UPEC) Infections: Virulence Factors, Bladder Responses, Antibiotic, and Non-antibiotic Antimicrobial Strategies Front Microbiol. 2017 Aug 15;8:1566.
DOI: 10.3389/fmicb.2017.01566
[PubMed: 28861072]
Rasko DA, Sperandio V. Anti-virulence strategies to combat bacteria-mediated disease. Nat Rev Drug Discov. 2010; 9(2):117–28.
[PubMed: 20081869].
Garland M, Loscher S, Bogyo M. Chemical strategies to target bacterial virulence. Chem Rev. 2017;117(5):4422–61. Excellent recent review on anti-virulence approaches, other than FimH and adhesins.
[PubMed: 28234447].
Cozens D, Read RC. Anti-adhesion methods as novel therapeutics for bacterial infections. Expert Rev Anti Infect Ther. 2012;10(12):1457–68.
[PubMed: 23253323].
Snyder J, Lloyd A, Lockatell C, et al. Role of phase variation of type 1 fimbriae in a uropathogenic Escherichia coli cystitis isolate during urinary tract infection. Infect Immun. 2006;74(2):1387–93.
[PubMed: 16428790]/
Wu XR, Sun TT, Medina JJ. In vitro binding of type 1-fimbriated Escherichia coli to uroplakins Ia and Ib: relation to urinary tract infections. Proc Natl Acad Sci USA. 1996;93(18):9630–35.
[PubMed: 8790381].
Anderson GG, Palermo JJ, Schilling JD, et al. Intracellular bacterial biofilm-like pods in urinary tract infections. Science. 2003; 301(5629):105–7.
[PubMed: 12843396].
Zhou G, Mo WJ, Sebbel P, et al. Uroplakin Ia is the urothelial receptor for uropathogenic Escherichia coli: evidence from in vitro FimH binding. J Cell Sci. 2001;114(Pt 22):4095–103.
[PubMed: 11739641].
Corinne K. Cusumano, Jerome S. Pinkner, Zhenfu Han, Sarah E. Greene, Bradley A. Ford, Jan R. Crowley, Jeffrey P. Henderson, James W. Janetka and Scott J. Hultgren. Treatment and Prevention of Urinary Tract Infection with Orally Active FimH Inhibitors. 2011;3(109): 109-115.
Mydock-McGrane LK, Cusumano ZT, Janetka JW. Mannose-derived FimH antagonists: a promising anti-virulence therapeutic strategy for urinary tract infections and Crohn's disease. Expert Opin Ther Pat. 2016; 26(2):175–97. Recent patent literature review on FiimH antagonists.
[PubMed: 26651364].
Klein T, Abgottspon D, Wittwer M, et al. FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem. 2010;53(24):8627–41.
[PubMed: 21105658].
Pandey SK, Řeha D, Zayats V, et al. Binding-competent states for L-arginine in E. coli arginine repressor apoprotein. J Mol Model, 2014;20:2330.
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