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Computational Protein-Protein Docking Reveals the Therapeutic Potential of Kunitz-type Venom against hKv1.2 Binding Sites

[ Vol. 18 , Issue. 5 ]

Author(s):

Rida Khalid, Nighat Noureen, Mohammad Amjad Kamal and Sidra Batool*   Pages 382 - 404 ( 23 )

Abstract:


Background & Objective: Kunitz-type venoms are bioactive proteins isolated from a wide variety of venomous animals. These venoms are involved in protease inhibitory activity or potassium channel blocking activity. Therefore, they are reported as an important source for lead drug candidates towards protease or channel associated diseases like neurological, metabolic and cardiovascular disorders.

Method: This study aimed to check the inhibitory action of Kunitz-type venoms against potassium channels using computational tools. Among potassium channels, Human Voltage-Gated Potassium Channel 1.2 (hKv1.2) was used as a receptor whereas Kunitz-type peptides from the venoms of various species were selected as ligand dataset.

Results & Conclusion: This study helped in finding the binding interface between the receptor and ligand dataset for their potential therapeutic use in treating potassium channelopathies.

Keywords:

Kunitz-type venoms, human Kv1.2, docking, CS alpha/beta fold, autoimmune, metabolic.

Affiliation:

Department of Biosciences, COMSATS University, Islamabad, Park Road, Chak Shahzad Islamabad-45550, Department of Biosciences, COMSATS University, Islamabad, Park Road, Chak Shahzad Islamabad-45550, King Fahd Medical Research Center, King Abdulaziz University, P.O. Box 80216, Jeddah 21589, Department of Biosciences, COMSATS University, Islamabad, Park Road, Chak Shahzad Islamabad-45550



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