Homology Modelling and Molecular Docking Studies of Interleukin 10 Proteins from Different Species

  • Keerthana Pasam Department of Biotechnology, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, INDIA.
  • Vaishnavi Mallojala Department of Biotechnology, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, INDIA.
  • Shravan Kumar Gunda Bioinformatics Division, PGRRCDE, Osmania University, Hyderabad, Telangana, INDIA.
  • Seshagiri Bandi [1]Department of Biotechnology, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, INDIA. [2]Bioinformatics Division, PGRRCDE, Osmania University, Hyderabad, Telangana, INDIA.
  • Mahmood Shaik [1]Department of Biotechnology, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, INDIA. [2]Bioinformatics Division, PGRRCDE, Osmania University, Hyderabad, Telangana, INDIA.
Keywords: Interleukin-10, Homology modelling, Natural Compounds, Molecular modeler, Docking

Abstract

Background: Interleukin-10 is an important anti-inflammatory cytokine that plays significant roles in auto immune diseases. Interleukin-10 has been involved as an important regulator of the functions of myeloid cells lymphoid cells. The three-Dimensional structure and functions of Interleukin-10, proteins from different species are not known. In the present study, we analyzed the comparative study of 3D structure of eight different species of Interleukin-10 proteins and also molecular docking studies were performed to all the modelled structures. Methods: Comparative modelling was performed to all the selected eight proteins by using Modeller 9.21, a modelling tool. Initial alignment was performed by using clustal X and validated by using Procheck. Further molecular docking study was performed by using Autodock 4.2. Results and Discussion: Homology modeling studies of all the modelled proteins showed that all the amino acid residues present in core region and there is no amino acid residue in disallowed region. A molecular docking study was also carried out to study the stability of Interleukin-10 proteins. Docking studies were performed by using natural compounds as Interleukin-10 protein inhibitors. All the compounds exhibited good binding energies and good interactions. Binding energies ranged from -4.51 to -9.82 Kcal/mol. Conclusion: Homology modelling and docking study results indicate that the natural compounds are showing good interactions with all the modelled interleukin-10 proteins. To this study we get significant information for the design of novel inhibitors for the treatment of inflammation.

Downloads

Download data is not yet available.
Figure 1: Homology models of Interleukin 10 proteins from different species
Published
2019-12-12
How to Cite
1.
Pasam K, Mallojala V, Gunda SK, Bandi S, Shaik M. Homology Modelling and Molecular Docking Studies of Interleukin 10 Proteins from Different Species. ijpi [Internet]. 12Dec.2019 [cited 21Feb.2020];9(4):154-7. Available from: http://www.jpionline.org/index.php/ijpi/article/view/402