article · Current Medicinal Chemistry

Ab-initio Molecular Dynamics and Density Functional Theory Study of Amodiaquine Analogues as Potential Inhibitors of β-haematin Crystallization

Pélagie Manwal A Mekoung
Kevin A. Lobb
Ibrahim Mbouombouo Ndassa

2025Rhodes University

In plain language

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Abstract

The findings from this study are valuable because they can aid the design and understanding of new therapeutic molecules that could be used to treat drug-resistant malaria, a global threat of today.

Research topics

Computational Drug Discovery Methods
Free Radicals and Antioxidants
Protein Interaction Studies and Fluorescence Analysis

Sustainable Development Goals

3Good Health and Well-being

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DOI: 10.2174/0109298673346612250320080402

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