• Anila Farid Abbottabad International Medical College, Abbottabad
  • Saadia Sadiq Abbottabad International Medical College, Abbottabad
  • Rehana Rasool Abbottabad International Medical College, Abbottabad
  • Ghazala Rasool Department of Medicine, Northern Border University Arar-Saudi Arabia
  • Ajmal Hussain Ayub Medical College Abbottabad
  • Muhammad Fawad Abbottabad International Medical College, Abbottabad



Homology modeling; transcriptional regulator; typhoid fever ,disease; Modeller


Background: Salmonella typhi cause typhoid fever which is life threatening disease. It effects approximately 600,000 people per annum around the world. Food and water are the integral components through which this disease is transmitted and becomes base of typhoid. It spreads widely where cleanliness is very poor. Objective was to analyse three-dimensional structure of transcriptional regulator of Salmonella typhi CT18 by homology modelling to inhibit virulent effect of salmonella typhi. Methods: Bioinformatics tools and programs like comprehensive Microbial resource (CMR). Interproscan, Basic Local Alignment Search tool (BLAST), Modeller 9.10, Procheck and Prosa were used as bioinformatic tools for effective study of protein. Results: Homology modelling is an appropriate and precise method to find three-dimensional transcriptional regulator to stop its virulency. Conclusion: Homology modelling is computational and accurate method to find 3D structure of transcriptional regulator to inhibit its virulence effect of causing disease.

Author Biographies

Anila Farid, Abbottabad International Medical College, Abbottabad


Saadia Sadiq, Abbottabad International Medical College, Abbottabad


Rehana Rasool, Abbottabad International Medical College, Abbottabad


Ghazala Rasool, Department of Medicine, Northern Border University Arar-Saudi Arabia


Ajmal Hussain, Ayub Medical College Abbottabad


Muhammad Fawad, Abbottabad International Medical College, Abbottabad



Rahman SI, Dyson ZA, Klemm EJ, Khanam F, Holt KE, Chowdhury EK, Dougan G, Qadri F. Population structure and antimicrobial resistance patterns of Salmonella Typhi isolates in urban Dhaka. Bangladesh from 2004 to 2016. PLoS Negl Trop Dis 2020;14(2):e0008036.

Gibani MM, Jones E, Baton A, Jin C, Meek J, Camara S, et al. Investigation of the role of typhoid toxin in acute typhoid fever in a human challenge model. Nat Med 2019;25(7):1082–8.

Jain D. Allosteric control of transcription in G and R family of transcriptional regulator: Astructural overview. IUBMB File 2015;67(7):556–63.

Steinhaus G, Gonzalez T, Seelow D, Robinson PN. Pervasive and CpG-dependent promoter- like characteristics of transcribed enhancers. Nucleic Acids Res 2020;48(10):5306–17.

LaRock DL, Chaudhary A, Miller ST. Salmonellae interactions with host processes. Nat Rev Microbiol 2015;13(4):191–205.

Suter DM. Transcription factors and DNA play hide and seek. Trends Cell Biol 2020;30(6)491–500.

Paul P, Patel P, Verma SK, Mishra P, Sahu BR, Panda PK, et al. The Hha-TomB toxin-antitoxin module in salmonella enteric serovar Typhimurium limits its intracellular survival profile and regulates host immune response. Cell Biol Toxicol 2022;38(1):111– 27.

Bitencourt-Ferreira G, de Azevedo WF Jr. Homology Modeling of Protein Targets with MODELLER. Methods Mol Biol 2019;2053:231–49.

Franca TC. Homology modeling: an important tool for the drug discovery. J Biomol Struct Dyn 2015;33(8):1780–93.

Dong S, Sun J, Mao Z, Wang L, Lu YL, Li J. Aguideline for homolgy modeling of the proteins from newly discovered beta coronavirus, 2019 novel coronavirus(2019-ncov). J Med Virol 2020;92(9):1542–8.

Moradi S, Khani S, Ansari M, Shahlaei M. Atomistic details on the mechanism of organophosphates resistance in insects: insights from homology modeling, docking and molecular dynamic stimulation. J Mol Liq 2019;276:59–66.

Haddad Y, Adam V, Heger Z. Ten quick tips for homology modeling of hogh –resolution protein 3D structures. PLoS Comput Biol 2020;16(4):e1007449.

Rensi S, Keys A, Lo YC, Derry A, Mclnnes G, Liu T, et al. Homology modeling of TMPRSS2 yields candidate drugs that may inhibit entry of SARS-CoV-2 into human cells. ChemRxiv 2020;2020;12009582.

Brogi S, Ramalho TC, Kuca K, Medina-Franco JL, Valco M. In silico methods for drug design and discovery. Front Chem 2020;8:612.

Muhammad MT, Aki-Yalcin E. Homolgy modeling in drug discovery:Overview current applications and future perspectives. Chem Biol Drug Des 2019;93(1):12–20.

Yap KP, Gan HM, Teh CS, Baddam R, Chai LC, Kumar N, et al. Genome sequence and comparative pathogenome analysis of a salmonella entericaserovar Typhi strain associated with a typhoid carrier in Malaysia. J Bacteriol 2012;194(21):5970–1.

Hung JH, Weng Z. Sequence alignment and homology search with BLAST and ClustalW. Cold Spring Harb Protoc 2016;2016(11):pdb-rot093088.

Labib MM, Amin MK, Alzohairy AM, Elashtokhy MMA, Samir O, Saleh I, et al. In silico Targeting, inhibition and analysis of polyketide synthase enzyme in Aspergillus ssp. Saudi J Biol Sci 2020;27(12):3187–98.

Feig M. Local protein structure refinement via molecular dynamics simulations with locPREFMD. J Chem Inf Model 2016;56(7):1304–12.