International Publisher of Science, Technology and Medicine

Journal of Pharmaceutical Sciences & Emerging Drugs

Research Article

Structure Based Docking of Small Hirudin like Peptides with Thrombin

Aparna Jadhav1*, RadhaCharan Dash2, Raj Hirwani1 and Mailk Abdin3
1Council of Scientific and Industrial Research-Unit for Research and Development of Information Products, “Tapovan” NCL Campus, S.No.113, 114, Pashan, Pune 411 008, India
2School of Pharmacy, University of Connecticut, 69 N Eagleville Rd Storrs, CT 06269, USA
3Department of Biotechnology, Faculty of Science, Jamia Hamdard, New Delhi- 110062, India
Corresponding author : Aparna Jadhav
Council of Scientific and Industrial Research- Unit for Research and Development of Information Products, “Tapovan” NCL Campus, S.No.113,114, Pashan, Pune 411008, India
Tel: 020 32676541
Fax: 43/20251324
E-mail: [email protected], [email protected]
Received: November 02 , 2016 Accepted: November 15, 2016 Published: November 23, 2016
Citation: Jadhav A, Dash RC, Hirwani R, Abdin M (2016) Structure Based Docking of Small Hirudin like Peptides with Thrombin. J Pharm Sci Emerg Drugs 4:2. doi: 10.4172/2380-9477.1000116

Abstract

Hirudin variant like small peptide or peptidomemitic compounds are known to inhibit thrombin. These 10 to 20 amino acid long molecules are reported to primarily bind at exosite 1 of thrombin. To know more about their interaction with thrombin, initially we docked 5 different hirudin variant peptides having 10 to 13 aa sequences. It helped to identify single best docking peptide (12 aa sequence) i.e. GDFEEIPEEYLQ (pdb: 1FPH _I chain) with docking score -3.42 kcal/Mol, amongst the set of peptides. This peptide was further truncated to form a series of peptides having 7 to 12 aa sequence range. The truncated peptides were further docked at thrombin exosite 1 binding site. Amongst these the best docking 7 aa peptide i.e. GDFEEIP, with docking score -4.43 kcal/Mol was identified. This experiment helped to predict the best possible peptide sequence, much needed for strong thrombin docking and can be competent peptide based antithrombin lead.

    Subscription required
    Please login to access the full article, or register if you do not yet have a account
    Existing subscribers
    User name
    Password
    • Not yet a registered user?
      Please Register here
    • Subscribe to Journal of Pharmaceutical Sciences & Emerging Drugs
izmit escort sex geschichten escort bayan porno sikis adult porno pornolar
test