Jinuraj KR

I am currently employed as a Data Scientist (Consultant) at the OSPF-NIAS Drug Discovery Lab, located within the National Institute of Advanced Studies on the IISc Campus in Bangalore. I hold a recently completed Ph.D. in 'Design, Feature Selection, and Validation of Anti-Leishmaniasis Drug Leads' from Bharathiar University, where my research spanned a spectrum of disciplines including chemistry, medicinal chemistry, chemoinformatics, artificial intelligence, and machine learning—all integrated to advance early-stage drug discovery.

My academic journey has been enriched by active participation in numerous national and international seminars, culminating in the publication of 7 articles in prestigious journals. Notably, I assumed a pivotal role in the CSIR-OSDD Drug Discovery Unit's Open Source Drug Discovery initiative, stationed at the IISc Campus in Bangalore.

Currently, my research focus centers on harnessing artificial intelligence and machine learning techniques to explore their potential applications within India's traditional medicine systems.

1. Periwal, V., Jinuraj. K., Jaleel, A. U., & Scaria, V. (2011). Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets. BMC Research Notes. https://doi.org/10.1186/1756-0500-4-504

2. Sajeev, R., Athira, R. S., Nufail, M., Jinu Raj, K. R., Rakhila, M., Nair, S. M., … Manuel, A. T. (2013). Computational predictive models for organic semiconductors. Journal of Computational Electronics.

3. Kr, Jinuraj., Safeeda, A., K, A. V, Manuel, A. T., & Uc, A. J. (2015). Quantum Chemical Correlation Of Homo-Lumo Gap And Adsorption Energy Of ZnO and ZnS. International Journal of Therapeutic Applications, 30, 14–18.

4. Gad, A., Manuel, A. T., K. R., Jinuraj., John, L., Sajeev, R., Shanmuga, S. P., & Abdul Jaleel, U. C. (2017). Virtual screening and repositioning of inconclusive molecules of beta-lactamase bioassays—A data mining approach. Computational Biology and Chemistry.

5. Rakhila, M., Jinuraj, K. R., Dhanalakshmi, M., Reshmi, D., Manuel, A. T., & Jaleel,U. C. A. (2018). Decision Making Components In Cyclisation Of Mannose Derivatives – A Computational Approach IJRPC , 8(1), 217–231.

6. K. R., Jinuraj., M., Rakhila., M., Dhanalakshmi., R., Sajeev., Gad, Akshatha., K., Jayan., … U. C., Abdul. Jaleel. (2018). Feature optimization in high dimensional chemical space: statistical and data mining solutions. BMC Research Notes, 11(1), 463.

7. Dhanalakshmi. M, D. Sruthi, Jinuraj K. R, Kajari Das, Sushma Dave. Jayashankar Das- Mannose: a potential saccharide candidate in disease management. (2022).Medicinal Chemistry Research.

8. Jaleel, UCA and Chethala N, Vishnuprasad and S, Sathish and Thottapillil, Anjana and K R, Jinu Raj and Kukkupuni, Subrahmanya Kumar and Kulkarni, Prasanna and M, Rakhila and Safeeda, Ayisha and Manuel, Andrew Titus and EPA, Sandesh, Artificial Neural Network Based Self Organizing Maps Analysis for Clinical Trials of Indian Systems of Medicine. Available at SSRN: http://dx.doi.org/10.2139/ssrn.4468365 (Pre-print)

1. Presentation at UGC -National seminar at Dept. of Plant Biology and Plant Biotechnology, Govt. Arts and Science College, Ooty- titled, ' Development of Drug Discovery Leads from the Catharanthus Roseus, Phylantus Amarus and Rauwolfia Serpentia 20-21 August 2009.

2. Poster presentation at II Louis Pasteur Memorial National Symposium on Antimicrobial Resistance and Drug Discovery titled ' Examination of Phytochemicals in plant Chrolaena Odorata'- 8-9 September 2009.

3. Participation in a one-day workshop on 'Python Programming' organized by Dept. of Mathematics, Malabar Christian College, Calicut-  6 March-2010.

4. Participation in Two-day National Seminar on ' Recent Advances in Computer-Aided Drug Design' organized by SAFI Institute of Advanced Studies, Calicut and Schrodinger Inc. USA on 5th, 6th July 2010.

5. Participation in National Seminar on Drug Design organized by Academy of Chemistry Teachers, DBT-BIF Centre for Bioinformatics & Dept. of Chemistry-University of Kerala at Centre for Bioinformatics on 12th August, 2010.

6. Participation at ‘Frontiers in Organic Synthesis and Drug Discovery’ – National workshop held at CSIR-NIIST, Thiruvananthapuram on 1st and 2nd March 2012.

7. Participation at ‘Computer-Aided Molecular Modeling and Drug Designing’ held at the Department of Chemistry, CMS College, Kottayam on 11th April 2012.

8. Poster presentation at ‘2nd UK-India MedChem Congress’ held at CSIR-Indian Institute of Chemical Technology in association with Royal Society of Chemistry- Hyderabad on 22-23rd March 2013.

9. Participated and contributed to the short film -  ‘The Need of New Drugs for Tuberculosis’- won the second national award at  ‘CSIR-OSDD-VP Short Video Competition’ during National Vigyan Chalchitrha Mela & Competition 2013.

10. Participation in ‘C-DAC Garuda Boot Camp’ held at Center for Development of Advanced Computing at Bangalore on 21st and 22nd January 2014.

11. Participated and trained the attendees on UGC-sponsored National Seminar & Training on 'Molecular Modeling and Computational Chemistry' at Sree Narayana College, Chengannur, Kerala on 7th and 8th May 2014

12. Participation in the  ' World TB Day Event' organized by Open Source Pharma at National Institute of Advanced Studies (NIAS) on 24th March 2018.

13. Participation in the 'Access to Research' workshop organized by Open Source Pharma and the National Institute of Advanced Studies (NIAS) on 11th August 2018. 

14. Presentation at ‘UK-India Meet on Emerging Innovations in AMR’ with topic ‘Development of Promiscuity/Polypharmacology Index for Anti-Microbial Resistance’-held at National Institute of Advanced Studies (NIAS) in association with Open Source Pharma and Royal Society of Chemistry - at NIAS, IISc Campus Bangalore on 7th June 2019.

Dr UCA Jaleel, Scientist, OSPF-NIAS Drug Discovery lab, NIAS, IISc Campus, Bengaluru-560012

Contact : +91 9349480381; Email: jaleel.uc@gmail.com

Dr.Nibedita Rath, Scientific Director, Open Source Pharma Foundation, NIAS, IISc Campus, Bengaluru-560012 

Contact : +91- 9900506286; Email : nibedita.rath@ospfound.org

C.N.Vishnuprasad, PhD, Associate Professor, The University  of Trans-Disciplinary Health Sciences and Technology (TDU), Bengaluru, Karnataka 560064.

Contact: +91- 9481384872; Email: drcnvp@tdu.edu.in