Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against <i>Mycobacterium tuberculosis</i> and Hit Validation by Biological Assays-Reference-Cited by-同舟云学术

Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against Mycobacterium tuberculosis and Hit Validation by Biological Assays

Published:2024-07-12 Issue:15 Volume:64 Page:5991-6002
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Pakamwong Bongkochawan¹^ORCID,Thongdee Paptawan¹^ORCID,Kamsri Bundit¹^ORCID,Phusi Naruedon¹^ORCID,Taveepanich Somjintana¹,Chayajarus Kampanart¹,Kamsri Pharit²^ORCID,Punkvang Auradee²^ORCID,Hannongbua Supa³^ORCID,Sangswan Jidapa⁴,Suttisintong Khomson⁵^ORCID,Sureram Sanya⁶^ORCID,Kittakoop Prasat⁶⁷⁸^ORCID,Hongmanee Poonpilas⁹^ORCID,Santanirand Pitak⁹,Leanpolchareanchai Jiraporn¹⁰,Spencer James¹¹^ORCID,Mulholland Adrian J.¹²^ORCID,Pungpo Pornpan¹^ORCID

Affiliation:

1. Department of Chemistry and Center of Excellence for Innovation in 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 Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand

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

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

6. Chulabhorn Research Institute, Laksi, Bangkok 10210, Thailand

7. Program in Chemical Sciences, Chulabhorn Graduate Institute, Bangkok 10210, Thailand

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

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

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

11. School of Cellular and Molecular Medicine, Biomedical Sciences Building, University of Bristol, Bristol BS8 1TD, U.K.

12. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.

Funder

Engineering and Physical Sciences Research Council

Thailand Science Research and Innovation

Thailand Graduate Institute of Science and Technology

Center of Excellence for Innovation in Chemistry

Royal Golden Jubilee (RGJ) Ph.D. Programme

H2020 European Research Council

Biotechnology and Biological Sciences Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00511

Reference89 articles.

1. WHO. Global tuberculosis report 2023. https://www.who.int/publications/i/item/9789240083851 (accessed January 2024).

2. First functional characterization of a singly expressed bacterial type II topoisomerase: The enzyme from Mycobacterium tuberculosis

3. Deciphering the biology of Mycobacterium tuberculosis from the complete genome sequence

4. DNA Topoisomerases

5. Quinolone derivatives as antitubercular drugs