International Journal of Pharmaceutical Investigation, 2019, 9, 4, 154-157.
DOI: 10.5530/ijpi.2019.4.29
Published: December 2019
Type: Original Article
Authors:
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.
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.
Keywords: Interleukin-10, Homology modelling, Natural Compounds, Molecular modeler, Docking.