Design and Development of Dengue Protease Inhibitors

Posted: 20 Feb 2020 Last revised: 2 Mar 2020

See all articles by Murtaza Sheikh

Murtaza Sheikh

Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology

Deepak Shilkar

BIT Mesra

Venkatesan Jayaprakash

Department of Pharm. Sci & Tech.

Biswatrish Sarkar

Independent

Barij Nayan Sinha

Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology

Date Written: February 20, 2020

Abstract

Dengue has been one of the most notorious diseases in tropical and sub-tropical regions across the world, infecting nearly 4 – 5 million people in India alone. A large number of infections go undetected whereas a select few cases (approx. 50, 000 each year) leading to death. The disease places very high health and economic burden on the public as well as individuals due to disability associated with the infections (long term hospitalisation and weakness). Despite decades of focused effort from the industry and individual researchers, no therapeutic intervention is available for the treatment of Dengue. Our group has been pouring focused efforts to design and develop inhibitors against two critical targets of Dengue and other Flaviviruses; NS3 protease and NS5 methyltransferase. Viral protease has been shown to be effective drug targets, Hepatitis C Virus protease being an important example. This has further stimulated our interests to investigate Flaviviral proteases further. In this current study, we attempted in silico evaluation of the most active molecules reported by various research groups in various publications, against DENV protease. In addition, we also screened compounds from ChEMBL library. Our rationale behind this study was to create a comparable ground to evaluate different studies conducted in different timelines, using a diverse set of tools and parameters. While searching for new therapeutics, we have also laid emphasis on drug repurposing.

Keywords: Dengue, Protease, NS2B-NS3, Flaviviral

Suggested Citation

Sheikh, Murtaza and Shilkar, Deepak and Jayaprakash, Venkatesan and Sarkar, Biswatrish and Sinha, Barij Bayan, Design and Development of Dengue Protease Inhibitors (February 20, 2020). Proceedings of International Conference on Drug Discovery (ICDD) 2020, Available at SSRN: https://ssrn.com/abstract=3541408

Murtaza Sheikh

Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology

BIT Mesra
Ranchi, 835215
India

Deepak Shilkar

BIT Mesra ( email )

Department of Pharmaceutical Science and Tech
BIT Mesra
Ranchi, 835215
India

Venkatesan Jayaprakash (Contact Author)

Department of Pharm. Sci & Tech. ( email )

BIT Mesra
Ranchi, 835215
India

Biswatrish Sarkar

Independent ( email )

Barij Bayan Sinha

Dept. of Pharmaceutical sciences & Technology, Birla Institute of Technology ( email )

BIT Mesra
Ranchi, 835215
India

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