Computational Investigation of Phytochemicals Targeting Isocitrate Lyase to Inhibit Mycobacterium tuberculosis
Among selected phytochemicals, gallic acid exhibited highest stability and binding af-finity within the active site of ICL as compared to previously identified compounds, which suggests that it is as potential candidate against ICL. That can be used for further in vitro and in vivo studies to evaluate its effectiveness against TB.
Authors
- Sarvesh Rustagi (ORCID: https://orcid.org/0000-0002-1247-1040)
- Saurabh K. Gupta (ORCID: https://orcid.org/0000-0001-8140-2033)
- Deependra Pratap Singh (ORCID: https://orcid.org/0000-0002-8897-7777)
- Prashant Kumar Tiwari (ORCID: https://orcid.org/0009-0002-3174-3504)
- Mandeep Chouhan (ORCID: https://orcid.org/0009-0007-9443-9784)
- Mukesh Kumar (ORCID: https://orcid.org/0009-0008-1702-4064)
- Sanjay Kumar (ORCID: https://orcid.org/0000-0001-6296-0291)
- Kuldeep Sharma (ORCID: https://orcid.org/0000-0003-1277-9800)
- Richa Mishra (ORCID: https://orcid.org/0000-0002-1173-8962)
Institutions
- Uttaranchal University (IN)
- Parul University (IN)
- Graphic Era University (IN)
- All India Institute of Medical Sciences (IN)
- Chitkara University (IN)
- Sharda University (IN)
- GLA University (IN)
- Parul University (IN)
Publication Details
- Journal
- Current Drug Discovery Technologies
- Published
- 2025-06-18
- DOI
- https://doi.org/10.2174/0115701638364461250603050239
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00