Developing novel indoles as antitubercular agents and simulated annealing-based analysis of their binding with MmpL3
We have identified three potent antitubercular molecules that supposedly act via inhibiting MmpL3. Results from the molecular modeling studies can be used in future drug designing.
Authors
- José Santinni Roma
- Raghu Chandrashekar Hariharapura (ORCID: https://orcid.org/0000-0002-6538-7758)
- Helena I. Boshoff (ORCID: https://orcid.org/0000-0002-4333-206X)
- Sumit Birangal (ORCID: https://orcid.org/0000-0001-7129-5748)
- Manisha Joshel Lobo (ORCID: https://orcid.org/0000-0003-3049-1632)
- Gautham G. Shenoy (ORCID: https://orcid.org/0000-0002-1312-6257)
- Rajdeep Ray (ORCID: https://orcid.org/0000-0001-8526-8580)
- Salil K. Das (ORCID: https://orcid.org/0000-0002-7910-6208)
Institutions
- National Institutes of Health (US)
- Manipal Academy of Higher Education (IN)
- National Institute of Allergy and Infectious Diseases (US)
Publication Details
- Journal
- Future Medicinal Chemistry
- Published
- 2024-12-25
- DOI
- https://doi.org/10.1080/17568919.2024.2444872
- Citations
- 3
- Primary Topic
- Cancer therapeutics and mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 0.70
Funders
- All India Council for Technical Education
- National Institutes of Health
- Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education
- National Institute of Allergy and Infectious Diseases
- NHLBI Division of Intramural Research