Novel target identification and drug repositioning for COVID-19 based on interaction network, molecular design and machine learning

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Implementing Organization

Principal Investigator

Dr Deva Priyakumar

Professor

International Institute of Information Technology Hyderabad

About

This project aims to (a) identify relevant targets (both viral and host) by expansive analysis of the viral-host interactome at multiple levels; and (b) to screen for possible drug molecules that effectively inhibits these targets using traditional molecular design methods and modern artificial intelligence/machine learning algorithms.

Patents

Achievements

Outcome / Output

The framework would tremendously help to reduce the computational effort in not only drug-discovery but also areas that require such high-throughput experiments. We have also developed a method based on reinforcement learning and docking methods for de novo molecular generation. Both these methods have been applied to identify novel molecules that strongly bind to main proteinase of the SARS-CoV-2.

Publications

Related Research

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Funding Organization

Department of Science and Technology (DST)

Quick Information

Focus Area

Drug Delivery

Start Year

2020

Sanction Amount

₹ NA

Status

Ongoing

Contact

deva@iiit.ac.in

Output

No. of Research Paper

Technologies (If Any)

No. of PhD Produced

No. of Patents

Filed : 00

Grant : 00

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Research Projects