Integrated computational strategies for the identification of Plasmodium falciparum dihydrofolate reductase inhibitors
The top compound exhibited IC<sub>50</sub> values of 30.822 μg/mL and 126.077 μg/mL against the 3D7 and Dd2 strains of P. falciparum, respectively, significantly outperforming other compounds (p < 0.05). This comprehensive approach underscores the critical role of integrating pharmacophore modeling with experimental methods to discover alternative antimalarial therapies.
Authors
- Bhaskarjyoti Gogoi (ORCID: https://orcid.org/0000-0003-4732-7628)
- Prafulla Dutta (ORCID: https://orcid.org/0000-0002-2815-3303)
- Dhrubajyoti Gogoi (ORCID: https://orcid.org/0000-0002-7508-4275)
- Vishwa Jyoti Baruah (ORCID: https://orcid.org/0000-0003-0583-6205)
- Anupaul Baruah (ORCID: https://orcid.org/0000-0002-4007-8107)
- Bibhuti Bhusan Kakoti (ORCID: https://orcid.org/0000-0003-4492-9439)
- Bhaswati Sarmah (ORCID: https://orcid.org/0000-0002-2967-299X)
- Partha Pratim Dutta (ORCID: https://orcid.org/0000-0003-0907-3030)
- Richard Paúl (ORCID: https://orcid.org/0000-0002-0665-5089)
- Rasana Yadav (ORCID: https://orcid.org/0000-0002-9525-8447)
- Bulumoni Kalita
Institutions
- Gauhati University (IN)
- Assam Agricultural University (IN)
- Indian Council of Medical Research (IN)
- Regional Medical Research Centre (IN)
- Assam Down Town University (IN)
- Dibrugarh University (IN)
Publication Details
- Journal
- Computers in Biology and Medicine
- Published
- 2025-08-20
- DOI
- https://doi.org/10.1016/j.compbiomed.2025.110955
- Citations
- 1
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 1.50