Molecular docking, molecular dynamic simulation, and ADME analysis of <i>Moringa oleifera</i> phytochemicals targeting NS5 protein: towards the development of novel anti-dengue therapeutics
The study suggests that <i>M</i>. <i>oleifera</i> phytochemicals hold promise as DENV-2 NS5 inhibitors with minimal toxicity and favorable pharmacokinetic properties. These findings provide a strong foundation for further clinical investigations, potentially contributing to developing novel anti-dengue therapeutics.
Authors
- Neha Masarkar
- Maynak Pal (ORCID: https://orcid.org/0000-0001-9467-517X)
- Rashmi Chowdhary (ORCID: https://orcid.org/0000-0003-0815-4103)
- Sukhes Mukherjee (ORCID: https://orcid.org/0000-0003-1463-463X)
- Ashok Kumar (ORCID: https://orcid.org/0000-0001-9192-0774)
- Ashish Kumar Yadav (ORCID: https://orcid.org/0000-0002-3605-6802)
- Sarika Verma (ORCID: https://orcid.org/0000-0002-8121-8575)
Institutions
- Advanced Materials and Processes Research Institute (IN)
- Indian Institute of Science Education and Research, Bhopal (IN)
- All India Institute of Medical Sciences Bhopal (IN)
Publication Details
- Journal
- Journal of Complementary and Integrative Medicine
- Published
- 2025-10-25
- DOI
- https://doi.org/10.1515/jcim-2025-0132
- Primary Topic
- Moringa oleifera research and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00