Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial Activity

Author:

Thongdee Paptawan1ORCID,Hanwarinroj Chayanin1ORCID,Pakamwong Bongkochawan1ORCID,Kamsri Pharit2ORCID,Punkvang Auradee2ORCID,Leanpolchareanchai Jiraporn3,Ketrat Sombat4ORCID,Saparpakorn Patchreenart5ORCID,Hannongbua Supa5ORCID,Ariyachaokun Kanchiyaphat6ORCID,Suttisintong Khomson7ORCID,Sureram Sanya8ORCID,Kittakoop Prasat8910ORCID,Hongmanee Poonpilas11ORCID,Santanirand Pitak11,Mukamolova Galina V.12,Blood Rosemary A.13,Takebayashi Yuiko13,Spencer James13ORCID,Mulholland Adrian J.14ORCID,Pungpo Pornpan1ORCID

Affiliation:

1. Department of Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani, 34190, Thailand

2. Division of Chemistry, Faculty of Science, Nakhon Phanom University, Nakhon Phanom, 48000, Thailand

3. Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok, 10400, Thailand

4. School of Information Science and Technology, Vidyasirimedhi Institute of Science and Technology, Rayong, 21210, Thailand

5. Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand

6. Department of Biological Science, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani, 34190, Thailand

7. National Nanotechnology Center, NSTDA, 111 Thailand Science Park, Klong Luang, Pathum Thani, 12120, Thailand

8. Chulabhorn Research Institute, Bangkok, 10210, Thailand

9. Chulabhorn Graduate Institute, Chemical Biology Program, Chulabhorn Royal Academy, Bangkok, 10210, Thailand

10. Center of Excellence on Environmental Health and Toxicology (EHT), OPS, Ministry of Higher Education, Science, Research and Innovation, Bangkok, 10210, Thailand

11. Division of Microbiology, Department of Pathology, Faculty of Medicine, Ramathibodi Hospital, Mahidol University, Bangkok, 10400, Thailand

12. Leicester Tuberculosis Research Group, Department of Respiratory Sciences, University of Leicester, Maurice Shock Medical Sciences Building, University Road, Leicester, LE1 9HN, United Kingdom

13. School of Cellular and Molecular Medicine, Biomedical Sciences Building, University of Bristol, Bristol, BS8 1TD, United Kingdom

14. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, BS8 1TS, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Royal Society

Thailand Graduate Institute of Science and Technology

Royal Golden Jubilee (RGJ) Ph.D. Programme

Thailand Research Fund

National Electronics and Computer Technology Center

University of Bristol

Center of Excellence for Innovation in Chemistry

Ubon Ratchathani University

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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