Title: Identification of novel compounds against lower urinary tract symptoms and cystitis through docking and virtual screening
Authors: Balwant Kishan Malik; Rajni Jaiswal; Poonam Malik; Neha Malik; Uzma Khanam
Addresses: Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, UP, 201306, India ' Department of Biotechnology, School of Engineering and Technology, Sharda University, Greater Noida, UP, 201306, India ' Amity Institute of Biotechnology, Amity University Noida, UP, 201303, India ' Department of Chemistry, Northwestern University Chicago, IL 60208, USA ' Amity Institute of Biotechnology, Amity University Noida, UP, 201303, India
Abstract: Motivation: People suffering from infection in their urinary tract are more likely to get disease like cancer. Lower urinary tract symptom (LUTS) in male and Cystitis in female are common types of urinary tract infections. Drugs viz. alpha-blocker, 5-alpha-reductase inhibitors and antibiotics are used to treat these diseases. However, these drugs are also associated with adverse effects viz nausea etc. Therefore to overcome the adverse effects and to develop low-cost drugs, natural compounds need to be employed for target proteins. Result: The study was done with few novel proteins for LUTS and cystitis as targets and predicted their 3D structure using various tools. Predicted structures were validated and selected for the docking and virtual screening. Conclusion: Few natural promising compounds were identified in the study for further drug development.
Keywords: cystitis; lower urinary tract symptom; LUTS; docking; drug designing; homology modelling; molecular modelling; virtual screening.
International Journal of Computational Biology and Drug Design, 2017 Vol.10 No.3, pp.189 - 206
Received: 01 Mar 2016
Accepted: 28 Nov 2016
Published online: 01 Jul 2017 *