Combined 3D-QSAR, molecular docking, ADMET, and drug-likeness scoring of novel diaminodihydrotriazines as potential antimalarial agents

Combined 3D-QSAR, molecular docking, ADMET, and drug-likeness scoring of novel diaminodihydrotriazines as potential antimalarial agents

Plasmodium falciparum dihydrofolate reductase (PfDHFR) is a promising therapeutic target for antimalarial interventions. Diaminodihydrotriazine derivatives have demonstrated their efficacy as antimalarial agents by targeting PfDHFR inhibition. In this study, we used a multifaceted approach including...

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Bibliographic Details
Main Authors: Nedjla Khelfa, Salah Belaidi, Oussama Abchir, Imane Yamari, Samir Chtita, Abdelouahid Samadi, Muneerah Mogren Al-Mogren, Majdi Hochlaf
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Scientific African
Subjects:
Diaminodihydrotriazine
PfDHFR
3D-QSAR
ADMET
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2468227624001480

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