A computational structural analysis of functional attributes of Hypodermin A and B proteins: a way forward for vaccine development. | [Pakistan Journal of Pharmaceutical Sciences • 2018]

Author(s):

1. Irum Arif: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

2. Abdul Rauf Siddiqi: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

3. Haroon Ahmed: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

4. Muhammad Inam Afzal: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

5. Muhammad Umer: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

6. Arooma Maryam: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

7. Rana Rehan Khalid: Department of Biosciences, COMSATS Institute of Information Technology (CIIT),Park Road, Chakh Shazad, Islamabad,Pakistan

8. Saira Asif: Department of Botany, PMAS Arid Agriculture University,Rawalpindi,Pakistan

9. Muhammad Sohail Afzal: Department of Lifesciences, University of Management and Technology, Lahore, Pakistan

10. Shabnum Shaheen: Department of Botany, Lahore College for Women University,Lahore,Pakistan

11. Sadaf Abdul Rauf: Faculty of Science and Technology, Fatima Jinnah Women University,The Mall, Rawalpindi,Pakistan

12. Ozge Ozyalin: Department of Parasitology, Faculty of Medicine, University of Inonu,Malatya,Turkey

13. Sami Simsek: Department of Parasitology, Faculty of Veterinary Medicine, University of Firat,Elazig,Turkey

Abstract:

Hypodermosis is a parasitic disease of cattle. The pathogenicity of the disease is attributed to Hypodermin proteins (Hypodermin A, Hypodermin B and Hypodermin C). Studies suggest that Hypodermin proteins may be defined as Serine proteases and collagenases. The structure of both proteases Hypodermin A and Hypodermin B were modeled using the Swiss-model server followed by its validation using Procheck, Errat and Verify-3D. Afterwards, both Hypodermin A and Hypodermin B were docked against collagen in order to study its interaction with respective Hypodermin proteins. The structure of both Hypodermin A and Hypodermin B showed more bent towards hydrophobic nature as more beta sheets were present in them. Both structures were also superimposed to check out similarities and differences present between them. Serine, Aspartic acid, Histidine, Glutamic acid and Lysine are found as interacting residues that are involved in hydrogen bonding with collagen. The interactions are found in the active domain region of Hypodermin proteins. The interacting residues were present in the active region of the hypodermin proteins thus validating the docking studies. This study may help in the drug development against hypodermosis with least side effects.

Page(s): 2443-2451

DOI: DOI not available

Published: Journal: Pakistan Journal of Pharmaceutical Sciences, Volume: 31, Issue: 6, Year: 2018

Keywords:

modeling , hypodermosis , collagen , hypodermin A , hypodermin B

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