Research
Title : | Novel target identification and drug repositioning for COVID-19 based on interaction network, molecular design and machine learning |
Area of research : | COVID-19 Research, Life Sciences & Biotechnology |
Focus area : | Drug Delivery |
Principal Investigator : | Dr Deva Priyakumar, Professor, International Institute of Information Technology (IIIT), Hyderabad |
Timeline Start Year : | 2020 |
Contact info : | deva@iiit.ac.in |
Details
Executive Summary : | 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. |
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. |
Organizations involved
Implementing Agency : | International Institute of Information Technology (IIIT),Hyderabad Funding Agency :Department of Science and Technology (DST), Govt of India | |